#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iuu n PRO 316 N 0.00 0.80 -2.83 1.96 -0.04 -1.26 -4.97 135.00 128.65 2iuu n PRO 316 Ca 0.00 0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 2iuu n PRO 316 Cb 0.00 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 2iuu n PRO 316 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2iuu s PRO 317 N -1.09 4.75 0.00 0.54 0.04 -1.26 -4.94 135.00 133.04 2iuu s PRO 317 Ca 0.64 1.37 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2iuu s PRO 317 Cb -0.83 -3.28 0.23 0.00 0.04 0.00 0.00 34.50 30.66 2iuu s PRO 317 CO 0.57 0.53 0.87 1.28 0.04 0.00 0.00 177.00 180.29 2iuu n LEU 318 N 1.57 0.00 0.29 -3.56 4.77 -1.26 -1.58 117.00 117.23 2iuu n LEU 318 Ca -0.03 0.17 0.18 0.00 -0.03 0.00 0.00 56.01 56.30 2iuu n LEU 318 Cb 0.48 -0.17 0.81 0.00 -2.33 0.00 0.00 43.42 42.20 2iuu n LEU 318 CO 0.49 -0.15 1.04 0.28 -1.33 0.00 0.00 177.39 177.71 2iuu h SER 319 N 0.00 0.00 0.83 -1.43 0.02 -2.01 -2.43 113.55 108.52 2iuu h SER 319 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuu h SER 319 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2iuu h SER 319 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2iuu n LEU 320 N -3.06 0.51 -4.79 5.07 4.77 -0.61 -4.78 117.00 114.11 2iuu n LEU 320 Ca -0.00 0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 56.20 2iuu n LEU 320 Cb 0.25 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2iuu n LEU 320 CO 0.25 -0.39 0.27 -0.76 -1.33 0.00 0.00 177.39 175.43 2iuu s LEU 321 N -4.09 4.47 0.54 2.23 1.43 -0.92 -4.80 118.68 117.55 2iuu s LEU 321 Ca 0.07 1.19 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 2iuu s LEU 321 Cb 0.11 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 2iuu s LEU 321 CO 0.41 0.20 1.17 0.47 0.23 0.00 0.00 176.35 178.83 2iuu n ASP 322 N 2.19 1.79 -4.81 2.29 8.00 -1.26 -4.94 116.55 119.81 2iuu n ASP 322 Ca -0.09 0.93 -0.32 0.00 0.71 0.00 0.00 54.79 56.02 2iuu n ASP 322 Cb 0.51 -1.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.15 2iuu n ASP 322 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2iuu s PRO 323 N -2.69 3.30 -0.16 -0.24 0.02 -1.26 -4.44 135.00 129.52 2iuu s PRO 323 Ca 0.72 1.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 2iuu s PRO 323 Cb -0.44 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.00 2iuu s PRO 323 CO 0.50 -0.82 1.85 0.00 -0.33 0.00 0.00 177.00 178.20 2iuu s ALA 324 N -2.59 3.20 0.72 -1.55 0.00 -1.26 -4.95 121.76 115.33 2iuu s ALA 324 Ca 0.62 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2iuu s ALA 324 Cb -0.15 -3.91 0.03 0.00 0.00 0.00 0.00 23.12 19.09 2iuu s ALA 324 CO 0.40 -2.08 1.23 -1.21 0.00 0.00 0.00 175.76 174.10 2iuu s GLU 325 N 5.06 2.15 -0.54 0.00 2.02 -1.26 -4.79 118.70 121.34 2iuu s GLU 325 Ca 0.83 1.85 -0.33 0.00 0.02 0.00 0.00 54.97 57.34 2iuu s GLU 325 Cb -0.31 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 31.96 2iuu s GLU 325 CO 0.34 -1.85 2.35 0.28 0.02 0.00 0.00 175.26 176.40 2iuu n VAL 326 N -2.59 0.07 -1.72 2.63 0.31 -1.26 -4.80 118.33 110.97 2iuu n VAL 326 Ca 0.14 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.85 2iuu n VAL 326 Cb 0.50 -1.51 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 2iuu n VAL 326 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2iuu n LYS 327 N 8.37 1.54 -2.16 5.55 2.85 -1.26 -4.83 118.16 128.22 2iuu n LYS 327 Ca 0.47 -2.23 -0.42 0.00 -1.05 0.00 0.00 58.31 55.09 2iuu n LYS 327 Cb 0.22 -3.42 -0.01 0.00 -0.65 0.00 0.00 35.03 31.17 2iuu n LYS 327 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2iuu n GLN 328 N 7.83 2.90 0.00 -1.58 7.27 -1.26 -4.81 117.38 127.73 2iuu n GLN 328 Ca 0.47 -2.91 0.00 0.00 0.07 0.00 0.00 57.00 54.62 2iuu n GLN 328 Cb 0.44 -3.41 0.00 0.00 2.41 0.00 0.00 30.24 29.69 2iuu n GLN 328 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2iuu n LYS 329 N 7.46 0.00 -2.12 3.69 0.00 -1.26 -5.03 118.16 120.89 2iuu n LYS 329 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 2iuu n LYS 329 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.46 2iuu n LYS 329 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2iuu n SER 330 N 0.00 -7.92 -4.17 -5.58 3.41 -1.26 -4.98 113.62 93.12 2iuu n SER 330 Ca 0.00 1.48 -0.34 0.00 -0.26 0.00 0.00 58.87 59.75 2iuu n SER 330 Cb 0.00 -4.67 -0.14 0.00 -0.26 0.00 0.00 64.21 59.14 2iuu n SER 330 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2iuu s TYR 331 N -0.47 3.21 0.16 7.33 1.51 -1.26 -5.08 117.35 122.75 2iuu s TYR 331 Ca 0.00 -1.84 -0.31 0.00 -1.01 0.00 0.00 57.07 53.90 2iuu s TYR 331 Cb 0.00 -2.07 -0.17 0.00 -0.11 0.00 0.00 41.96 39.61 2iuu s TYR 331 CO 0.00 -0.79 0.81 -1.13 -1.11 0.00 0.00 175.55 173.33 2iuu n SER 332 N 4.61 -0.22 -0.31 2.29 3.41 -1.26 -4.58 113.62 117.57 2iuu n SER 332 Ca -0.14 1.14 0.35 0.00 -0.26 0.00 0.00 58.87 59.96 2iuu n SER 332 Cb 0.44 -1.03 0.71 0.00 -0.26 0.00 0.00 64.21 64.07 2iuu n SER 332 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2iuu h PRO 333 N 1.96 0.00 -0.06 4.33 0.11 -1.99 0.71 132.00 137.05 2iuu h PRO 333 Ca -0.37 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2iuu h PRO 333 Cb 1.41 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.53 2iuu h PRO 333 CO 0.61 0.00 -0.56 1.05 -0.21 0.00 0.00 178.00 178.89 2iuu h GLU 334 N 0.00 0.49 0.21 1.05 4.11 -1.98 -2.27 114.58 116.19 2iuu h GLU 334 Ca 0.56 -0.45 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 2iuu h GLU 334 Cb 2.46 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.80 2iuu h GLU 334 CO -0.01 1.08 -0.17 0.77 0.07 0.00 0.00 179.01 180.76 2iuu h SER 335 N 0.06 -0.43 -0.80 3.06 0.02 0.11 0.46 113.55 116.02 2iuu h SER 335 Ca -0.05 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2iuu h SER 335 Cb 1.23 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.85 2iuu h SER 335 CO 0.11 -0.26 0.48 -0.07 -1.14 0.00 0.00 176.83 175.95 2iuu h LEU 336 N -0.39 0.72 -1.41 5.07 3.38 -1.47 -0.39 115.31 120.82 2iuu h LEU 336 Ca -0.01 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2iuu h LEU 336 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2iuu h LEU 336 CO -0.01 0.44 -0.28 -0.08 0.09 0.00 0.00 178.44 178.60 2iuu h GLU 337 N 0.85 0.00 -0.02 1.13 4.22 -0.92 -1.52 114.58 118.31 2iuu h GLU 337 Ca 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.79 2iuu h GLU 337 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2iuu h GLU 337 CO -0.20 0.28 -0.03 0.00 -2.18 0.00 0.00 179.01 176.88 2iuu h ALA 338 N 1.72 0.03 -0.79 2.92 0.00 0.71 -2.72 119.26 121.13 2iuu h ALA 338 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2iuu h ALA 338 Cb 0.59 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2iuu h ALA 338 CO 0.04 -0.18 0.52 1.98 0.00 0.00 0.00 179.25 181.61 2iuu h MET 339 N -0.46 0.99 -0.39 0.00 1.85 -1.11 -0.19 114.93 115.61 2iuu h MET 339 Ca 0.00 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.07 2iuu h MET 339 Cb 0.57 -0.22 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 2iuu h MET 339 CO 0.01 0.66 0.17 0.77 -0.40 0.00 0.00 176.91 178.11 2iuu h SER 340 N 1.02 0.22 0.14 1.39 0.02 -1.21 0.31 113.55 115.43 2iuu h SER 340 Ca 0.30 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2iuu h SER 340 Cb -0.04 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2iuu h SER 340 CO -0.08 0.16 -0.49 0.03 -1.14 0.00 0.00 176.83 175.31 2iuu h ARG 341 N 0.35 0.40 -0.01 3.45 -0.00 -1.08 -2.01 114.38 115.48 2iuu h ARG 341 Ca 0.17 -0.23 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2iuu h ARG 341 Cb 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.11 2iuu h ARG 341 CO -0.15 0.81 0.01 1.25 0.00 0.00 0.00 179.97 181.88 2iuu h LEU 342 N 0.32 0.01 0.07 3.04 6.46 -0.10 0.83 115.31 125.94 2iuu h LEU 342 Ca 0.02 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2iuu h LEU 342 Cb 0.98 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.86 2iuu h LEU 342 CO 0.08 0.03 -0.37 0.25 -0.62 0.00 0.00 178.44 177.81 2iuu h LEU 343 N -0.00 -1.11 -0.55 2.25 6.46 -0.28 0.51 115.31 122.59 2iuu h LEU 343 Ca 0.00 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 58.01 2iuu h LEU 343 Cb 0.01 0.43 -0.10 0.00 -0.73 0.00 0.00 40.66 40.27 2iuu h LEU 343 CO -0.00 -0.44 -0.08 -0.33 -0.62 0.00 0.00 178.44 176.97 2iuu h GLU 344 N -0.57 0.05 0.21 1.25 5.08 -1.07 -1.23 114.58 118.30 2iuu h GLU 344 Ca 0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2iuu h GLU 344 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2iuu h GLU 344 CO -0.25 0.03 -0.20 0.82 -1.00 0.00 0.00 179.01 178.40 2iuu h ILE 345 N 0.05 0.56 -0.56 3.13 1.08 0.00 -0.26 117.51 121.51 2iuu h ILE 345 Ca 0.27 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.76 2iuu h ILE 345 Cb 0.43 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2iuu h ILE 345 CO -0.52 0.00 0.35 0.11 -0.69 0.00 0.00 178.15 177.39 2iuu h LYS 346 N -0.45 0.67 -0.73 2.37 1.79 -0.48 0.33 116.57 120.08 2iuu h LYS 346 Ca -0.00 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2iuu h LYS 346 Cb 0.41 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2iuu h LYS 346 CO -0.04 0.45 0.30 -0.07 -1.08 0.00 0.00 179.45 179.01 2iuu h LEU 347 N 0.69 0.99 -1.13 2.94 3.38 -1.15 -1.60 115.31 119.44 2iuu h LEU 347 Ca 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2iuu h LEU 347 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2iuu h LEU 347 CO -0.08 0.89 0.33 0.50 0.09 0.00 0.00 178.44 180.16 2iuu h LYS 348 N 1.04 0.94 -0.64 1.13 3.11 -0.18 -1.42 116.57 120.55 2iuu h LYS 348 Ca 0.24 -0.12 0.01 0.00 -2.81 0.00 0.00 60.65 57.98 2iuu h LYS 348 Cb 0.19 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 2iuu h LYS 348 CO -0.02 0.72 0.42 0.93 -2.81 0.00 0.00 179.45 178.69 2iuu h GLU 349 N 0.93 0.82 0.00 1.90 5.08 0.58 -3.41 114.58 120.48 2iuu h GLU 349 Ca 0.23 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2iuu h GLU 349 Cb 0.08 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2iuu h GLU 349 CO -0.03 0.54 0.00 1.19 -1.00 0.00 0.00 179.01 179.71 2iuu n PHE 350 N -4.44 -2.90 0.17 4.33 3.01 -0.54 -5.01 117.46 112.08 2iuu n PHE 350 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.38 2iuu n PHE 350 Cb 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 2iuu n PHE 350 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2iuu h GLY 351 N 0.00 -0.73 -3.92 1.37 0.00 -1.79 -3.46 103.07 94.54 2iuu h GLY 351 Ca 0.00 0.40 -0.53 0.00 0.00 0.00 0.00 47.33 47.20 2iuu h GLY 351 CO 0.00 -0.27 0.67 -1.34 0.00 0.00 0.00 176.54 175.60 2iuu s VAL 352 N -6.00 2.60 -0.23 4.60 -7.23 -1.21 -4.86 120.40 108.07 2iuu s VAL 352 Ca -0.16 0.60 -0.04 0.00 -1.81 0.00 0.00 61.98 60.56 2iuu s VAL 352 Cb 0.07 -3.38 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 2iuu s VAL 352 CO 0.64 0.14 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.85 2iuu s GLU 353 N -1.73 3.33 0.20 4.82 2.12 -1.26 -2.12 118.70 124.06 2iuu s GLU 353 Ca 0.50 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 55.12 2iuu s GLU 353 Cb -0.41 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 2iuu s GLU 353 CO 0.54 -0.24 0.24 0.54 -0.54 0.00 0.00 175.26 175.80 2iuu s VAL 354 N 1.49 0.03 -0.01 3.70 0.11 -1.26 -1.80 120.40 122.64 2iuu s VAL 354 Ca 0.05 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 2iuu s VAL 354 Cb -0.15 -2.24 0.02 0.00 -1.53 0.00 0.00 36.38 32.48 2iuu s VAL 354 CO -0.02 -0.12 0.01 -0.94 -3.33 0.00 0.00 175.10 170.70 2iuu s SER 355 N -3.07 0.14 0.27 3.54 1.04 -0.98 -4.78 113.70 109.86 2iuu s SER 355 Ca 0.29 0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 2iuu s SER 355 Cb 0.04 -0.08 -0.12 0.00 0.10 0.00 0.00 66.02 65.97 2iuu s SER 355 CO 0.08 -0.08 1.64 0.52 0.98 0.00 0.00 173.24 176.38 2iuu n VAL 356 N 3.79 0.74 -0.06 5.02 0.31 -1.26 -0.20 118.33 126.67 2iuu n VAL 356 Ca -0.22 -0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 63.88 2iuu n VAL 356 Cb 0.53 -1.98 -0.13 0.00 -0.91 0.00 0.00 33.84 31.35 2iuu n VAL 356 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2iuu n ASP 357 N 2.66 1.07 -3.61 4.52 2.03 0.17 -4.82 116.55 118.58 2iuu n ASP 357 Ca 0.11 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.36 2iuu n ASP 357 Cb 0.36 1.09 -0.04 0.00 -0.72 0.00 0.00 41.12 41.82 2iuu n ASP 357 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2iuu s SER 358 N -4.74 -0.17 -0.04 1.67 1.04 -1.03 -5.00 113.70 105.44 2iuu s SER 358 Ca -0.08 0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.55 2iuu s SER 358 Cb 0.06 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2iuu s SER 358 CO 0.67 -0.20 -0.23 -0.69 0.98 0.00 0.00 173.24 173.77 2iuu s VAL 359 N -1.51 1.87 -0.37 5.02 1.01 -1.26 -1.13 120.40 124.03 2iuu s VAL 359 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2iuu s VAL 359 Cb -0.01 -1.57 0.12 0.00 0.00 0.00 0.00 36.38 34.92 2iuu s VAL 359 CO -0.04 0.53 0.17 -1.00 0.00 0.00 0.00 175.10 174.75 2iuu s HIS 360 N -0.31 1.78 0.53 5.22 3.76 0.32 -5.00 115.29 121.59 2iuu s HIS 360 Ca 0.02 -2.05 -0.18 0.00 -0.15 0.00 0.00 55.06 52.70 2iuu s HIS 360 Cb -0.11 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 2iuu s HIS 360 CO 0.01 -0.83 1.04 -1.25 -0.85 0.00 0.00 174.74 172.86 2iuu s PRO 361 N 1.00 3.63 0.16 8.40 0.04 -1.26 -1.23 135.00 145.73 2iuu s PRO 361 Ca 0.14 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2iuu s PRO 361 Cb -0.21 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2iuu s PRO 361 CO -0.11 -0.56 0.20 0.41 0.04 0.00 0.00 177.00 176.98 2iuu n GLY 362 N -0.71 2.91 0.28 0.56 0.00 -0.40 -4.79 105.19 103.04 2iuu n GLY 362 Ca 0.09 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 2iuu n GLY 362 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iuu h PRO 363 N 0.00 0.94 0.00 1.61 0.11 -1.88 -3.37 132.00 129.41 2iuu h PRO 363 Ca -0.12 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.75 2iuu h PRO 363 Cb 0.55 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 2iuu h PRO 363 CO 0.17 0.65 -1.63 0.28 -0.21 0.00 0.00 178.00 177.25 2iuu n VAL 364 N -4.57 0.64 -4.32 3.15 0.31 -1.26 -1.38 118.33 110.90 2iuu n VAL 364 Ca 0.06 -0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 63.95 2iuu n VAL 364 Cb 0.04 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.00 2iuu n VAL 364 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2iuu s ILE 365 N -2.22 0.32 -0.07 2.52 -0.00 -1.26 -1.62 121.20 118.87 2iuu s ILE 365 Ca -0.14 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.54 2iuu s ILE 365 Cb 0.04 -2.53 0.01 0.00 -0.00 0.00 0.00 42.46 39.98 2iuu s ILE 365 CO 0.27 0.00 -0.12 -0.89 -0.00 0.00 0.00 174.94 174.21 2iuu s THR 366 N -3.69 1.11 -0.16 8.37 2.01 0.02 -1.28 115.64 122.03 2iuu s THR 366 Ca 0.37 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2iuu s THR 366 Cb 0.06 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 2iuu s THR 366 CO 0.17 0.35 0.32 -0.60 -0.69 0.00 0.00 174.62 174.17 2iuu s ARG 367 N 0.74 4.27 -0.35 4.92 3.52 -0.37 -1.24 118.95 130.44 2iuu s ARG 367 Ca -0.13 0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 2iuu s ARG 367 Cb -0.16 -3.43 0.07 0.00 -1.56 0.00 0.00 34.95 29.86 2iuu s ARG 367 CO 0.03 0.21 0.11 -0.06 -0.81 0.00 0.00 175.30 174.78 2iuu s PHE 368 N 0.55 3.35 -0.33 5.12 0.40 0.13 -0.52 117.98 126.68 2iuu s PHE 368 Ca 0.18 -1.85 -0.29 0.00 -0.60 0.00 0.00 56.93 54.37 2iuu s PHE 368 Cb -0.13 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.88 2iuu s PHE 368 CO 0.05 -0.83 1.11 -1.21 0.70 0.00 0.00 175.22 175.04 2iuu s GLU 369 N 1.29 4.02 0.14 0.44 2.02 -0.28 -1.57 118.70 124.75 2iuu s GLU 369 Ca 0.00 1.05 0.06 0.00 0.02 0.00 0.00 54.97 56.10 2iuu s GLU 369 Cb -0.21 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2iuu s GLU 369 CO -0.00 -0.97 0.05 0.96 0.02 0.00 0.00 175.26 175.31 2iuu s ILE 370 N 3.82 4.11 -0.35 -1.63 -0.00 0.47 0.45 121.20 128.07 2iuu s ILE 370 Ca 0.47 -1.16 -0.06 0.00 -0.00 0.00 0.00 60.65 59.91 2iuu s ILE 370 Cb -0.12 -3.05 0.05 0.00 -0.00 0.00 0.00 42.46 39.35 2iuu s ILE 370 CO 0.18 -0.04 0.12 -1.58 -0.00 0.00 0.00 174.94 173.63 2iuu s GLN 371 N -2.81 2.52 0.43 0.37 2.00 0.72 -1.17 119.66 121.72 2iuu s GLN 371 Ca 0.28 -1.31 -0.26 0.00 -2.00 0.00 0.00 55.36 52.08 2iuu s GLN 371 Cb -0.10 -3.48 -0.09 0.00 0.80 0.00 0.00 33.01 30.14 2iuu s GLN 371 CO 0.20 -0.75 1.40 -2.14 -0.50 0.00 0.00 175.29 173.50 2iuu s PRO 372 N 1.36 3.82 1.20 1.67 0.02 -1.26 -2.31 135.00 139.50 2iuu s PRO 372 Ca -0.00 2.36 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 2iuu s PRO 372 Cb -0.20 -2.73 0.29 0.00 0.02 0.00 0.00 34.50 31.88 2iuu s PRO 372 CO 0.01 -0.68 1.02 0.00 -0.33 0.00 0.00 177.00 177.02 2iuu s ALA 373 N -1.21 -0.36 0.29 -1.55 0.00 -0.75 -4.90 121.76 113.29 2iuu s ALA 373 Ca 0.59 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2iuu s ALA 373 Cb -0.42 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 2iuu s ALA 373 CO 0.55 -3.87 1.47 0.00 0.00 0.00 0.00 175.76 173.91 2iuu s ALA 374 N -2.53 3.64 0.00 0.00 0.00 -1.26 -2.55 121.76 119.06 2iuu s ALA 374 Ca 0.68 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2iuu s ALA 374 Cb -0.22 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2iuu s ALA 374 CO 0.62 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2iuu n GLY 375 N 1.75 2.89 3.73 0.00 0.00 -1.26 -5.01 105.19 107.29 2iuu n GLY 375 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2iuu n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s VAL 376 N -2.36 4.54 -0.07 1.61 0.11 -1.06 -5.03 120.40 118.13 2iuu s VAL 376 Ca 0.00 2.05 -0.14 0.00 -2.93 0.00 0.00 61.98 60.96 2iuu s VAL 376 Cb 0.00 -4.31 -0.05 0.00 -1.53 0.00 0.00 36.38 30.49 2iuu s VAL 376 CO 0.00 0.29 0.35 -0.54 -3.33 0.00 0.00 175.10 171.87 2iuu s LYS 377 N 0.17 4.00 0.36 1.54 1.02 -1.26 -4.86 119.74 120.71 2iuu s LYS 377 Ca 0.48 0.27 0.16 0.00 0.02 0.00 0.00 55.97 56.90 2iuu s LYS 377 Cb -0.23 -3.30 1.07 0.00 -0.52 0.00 0.00 37.83 34.85 2iuu s LYS 377 CO 0.30 0.52 1.71 0.28 -0.92 0.00 0.00 175.35 177.23 2iuu h VAL 378 N 4.13 0.41 -1.00 3.17 2.07 -1.96 0.28 116.25 123.35 2iuu h VAL 378 Ca -0.48 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.08 2iuu h VAL 378 Cb 1.20 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 2iuu h VAL 378 CO 0.66 0.07 0.61 0.77 0.02 0.00 0.00 177.57 179.71 2iuu h SER 379 N 0.39 0.81 -0.57 0.57 4.64 -1.99 0.49 113.55 117.89 2iuu h SER 379 Ca 0.68 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 62.13 2iuu h SER 379 Cb 1.60 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.59 2iuu h SER 379 CO -0.46 0.32 0.33 0.03 -0.87 0.00 0.00 176.83 176.17 2iuu h ARG 380 N 0.81 0.62 0.69 4.77 3.08 -1.35 0.20 114.38 123.20 2iuu h ARG 380 Ca 0.56 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.54 2iuu h ARG 380 Cb 0.80 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.72 2iuu h ARG 380 CO -0.36 0.41 -0.33 0.82 -1.07 0.00 0.00 179.97 179.44 2iuu h ILE 381 N 0.63 0.25 -0.71 2.04 1.08 -1.04 -3.12 117.51 116.65 2iuu h ILE 381 Ca 0.24 -0.15 0.16 0.00 -0.39 0.00 0.00 64.86 64.71 2iuu h ILE 381 Cb 0.08 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 34.01 2iuu h ILE 381 CO -0.13 0.02 0.11 0.28 -0.69 0.00 0.00 178.15 177.73 2iuu h SER 382 N -1.05 -0.12 -0.28 1.72 0.02 -0.96 -2.06 113.55 110.82 2iuu h SER 382 Ca -0.10 0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2iuu h SER 382 Cb 0.74 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2iuu h SER 382 CO 0.16 -0.08 0.24 0.78 -1.14 0.00 0.00 176.83 176.78 2iuu h ASN 383 N 0.20 0.00 -1.61 3.07 -0.26 -0.55 -2.61 115.58 113.82 2iuu h ASN 383 Ca 0.39 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.51 2iuu h ASN 383 Cb 0.67 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.54 2iuu h ASN 383 CO -0.54 0.00 -0.43 0.00 -1.06 0.00 0.00 177.43 175.40 2iuu n LEU 384 N -4.17 5.17 0.09 1.61 -0.00 -0.77 -4.60 117.00 114.32 2iuu n LEU 384 Ca 0.04 -5.17 -0.12 0.00 -0.00 0.00 0.00 56.01 50.76 2iuu n LEU 384 Cb 0.39 -0.56 -0.09 0.00 -0.00 0.00 0.00 43.42 43.16 2iuu n LEU 384 CO 0.32 2.16 0.08 0.00 -0.00 0.00 0.00 177.39 179.96 2iuu h ALA 385 N 2.66 0.27 0.12 1.47 0.00 -1.55 -1.63 119.26 120.60 2iuu h ALA 385 Ca 0.34 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2iuu h ALA 385 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2iuu h ALA 385 CO 0.95 0.99 -0.06 -0.22 0.00 0.00 0.00 179.25 180.91 2iuu h LYS 386 N 0.08 -0.15 -0.35 0.00 1.63 -1.84 -1.04 116.57 114.90 2iuu h LYS 386 Ca -0.08 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 2iuu h LYS 386 Cb 1.78 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.44 2iuu h LYS 386 CO 0.17 0.11 -0.13 -0.44 -3.45 0.00 0.00 179.45 175.71 2iuu h ASP 387 N -0.41 0.72 -0.65 4.20 5.19 -1.90 -2.55 116.42 121.01 2iuu h ASP 387 Ca -0.02 -0.39 0.05 0.00 -0.62 0.00 0.00 57.03 56.05 2iuu h ASP 387 Cb 0.34 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.60 2iuu h ASP 387 CO 0.03 0.95 0.38 0.25 -3.12 0.00 0.00 179.24 177.72 2iuu h LEU 388 N 0.48 0.58 -0.54 1.55 5.85 -1.30 0.12 115.31 122.04 2iuu h LEU 388 Ca 0.08 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2iuu h LEU 388 Cb 0.66 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 2iuu h LEU 388 CO 0.04 0.38 0.23 0.00 -0.34 0.00 0.00 178.44 178.76 2iuu h ALA 389 N 1.32 0.69 -0.34 1.25 0.00 -1.05 -0.84 119.26 120.30 2iuu h ALA 389 Ca 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2iuu h ALA 389 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2iuu h ALA 389 CO -0.16 -0.15 0.05 -0.09 0.00 0.00 0.00 179.25 178.91 2iuu h ARG 390 N 0.44 0.57 0.00 0.00 2.43 -0.85 -0.53 114.38 116.44 2iuu h ARG 390 Ca 0.26 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2iuu h ARG 390 Cb 0.24 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2iuu h ARG 390 CO -0.23 0.65 -0.01 0.66 -1.51 0.00 0.00 179.97 179.54 2iuu h SER 391 N 0.40 0.00 -0.25 -3.80 4.64 -0.32 0.12 113.55 114.34 2iuu h SER 391 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2iuu h SER 391 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2iuu h SER 391 CO 0.01 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 2iuu n LEU 392 N -3.16 3.22 -2.94 5.97 4.77 -0.36 -4.97 117.00 119.53 2iuu n LEU 392 Ca -0.02 -1.33 -0.21 0.00 -0.03 0.00 0.00 56.01 54.43 2iuu n LEU 392 Cb 0.14 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2iuu n LEU 392 CO 0.23 0.65 -0.07 0.00 -1.33 0.00 0.00 177.39 176.86 2iuu n ALA 393 N 1.38 -0.92 -2.61 -1.18 0.00 0.03 -4.99 120.51 112.21 2iuu n ALA 393 Ca 0.17 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 2iuu n ALA 393 Cb 0.58 -2.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.01 2iuu n ALA 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2iuu s VAL 394 N -2.99 3.45 0.44 0.00 -7.23 -0.40 -5.02 120.40 108.65 2iuu s VAL 394 Ca 0.24 -1.47 0.12 0.00 -1.81 0.00 0.00 61.98 59.05 2iuu s VAL 394 Cb -0.12 -2.70 0.21 0.00 0.56 0.00 0.00 36.38 34.33 2iuu s VAL 394 CO 0.30 -0.06 2.01 -0.29 -0.31 0.00 0.00 175.10 176.75 2iuu h ILE 395 N 2.74 1.11 -2.01 -0.62 2.10 -1.94 -3.37 117.51 115.51 2iuu h ILE 395 Ca -0.47 -0.45 0.19 0.00 1.08 0.00 0.00 64.86 65.21 2iuu h ILE 395 Cb 1.20 1.06 -0.13 0.00 -1.09 0.00 0.00 36.82 37.85 2iuu h ILE 395 CO 0.55 0.14 0.61 -0.94 -1.08 0.00 0.00 178.15 177.44 2iuu s SER 396 N -6.92 -0.21 0.01 2.19 1.04 -1.26 -4.94 113.70 103.61 2iuu s SER 396 Ca -0.06 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2iuu s SER 396 Cb 0.16 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2iuu s SER 396 CO 0.71 -0.58 -0.03 0.54 0.98 0.00 0.00 173.24 174.86 2iuu s VAL 397 N -2.92 0.22 -0.27 5.02 0.11 -1.26 -4.36 120.40 116.94 2iuu s VAL 397 Ca 0.10 -0.52 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 2iuu s VAL 397 Cb -0.00 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2iuu s VAL 397 CO -0.04 -0.20 0.02 -0.60 -3.33 0.00 0.00 175.10 170.95 2iuu s ARG 398 N -0.77 3.13 -0.40 1.54 3.52 -0.76 -4.91 118.95 120.30 2iuu s ARG 398 Ca -0.06 -0.81 -0.21 0.00 -0.13 0.00 0.00 55.73 54.51 2iuu s ARG 398 Cb -0.05 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2iuu s ARG 398 CO -0.00 -0.37 0.68 0.08 -0.81 0.00 0.00 175.30 174.88 2iuu s VAL 399 N 1.46 4.81 -0.70 7.11 1.01 -1.26 -1.17 120.40 131.67 2iuu s VAL 399 Ca 0.03 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 2iuu s VAL 399 Cb -0.16 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.16 2iuu s VAL 399 CO -0.00 -0.48 0.83 -0.69 0.00 0.00 0.00 175.10 174.76 2iuu s VAL 400 N 2.89 4.84 0.63 2.92 1.01 0.99 -4.92 120.40 128.75 2iuu s VAL 400 Ca 0.26 -1.22 0.38 0.00 0.00 0.00 0.00 61.98 61.39 2iuu s VAL 400 Cb -0.14 -4.57 0.38 0.00 0.00 0.00 0.00 36.38 32.05 2iuu s VAL 400 CO 0.18 -1.23 2.15 -0.33 0.00 0.00 0.00 175.10 175.86 2iuu h GLU 401 N 8.99 0.00 -3.06 2.72 5.08 -1.95 -1.45 114.58 124.91 2iuu h GLU 401 Ca -0.15 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.98 2iuu h GLU 401 Cb 1.07 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.00 2iuu h GLU 401 CO 1.07 0.00 -0.55 0.54 -1.00 0.00 0.00 179.01 179.07 2iuu s VAL 402 N -4.09 -0.15 -0.34 3.13 0.11 -1.26 -4.82 120.40 112.97 2iuu s VAL 402 Ca -0.04 0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2iuu s VAL 402 Cb 0.11 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.70 2iuu s VAL 402 CO 0.34 0.09 0.06 -0.63 -3.33 0.00 0.00 175.10 171.64 2iuu s ILE 403 N 1.64 2.83 -0.12 7.04 1.01 -1.25 -4.97 121.20 127.38 2iuu s ILE 403 Ca -0.05 -1.85 -0.35 0.00 0.00 0.00 0.00 60.65 58.40 2iuu s ILE 403 Cb -0.11 -2.83 -0.16 0.00 0.01 0.00 0.00 42.46 39.36 2iuu s ILE 403 CO -0.07 -0.40 1.01 -2.65 0.00 0.00 0.00 174.94 172.83 2iuu n PRO 404 N 4.51 0.00 0.00 2.79 -0.02 -1.26 -1.66 135.00 139.35 2iuu n PRO 404 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2iuu n PRO 404 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2iuu n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iuu n GLY 405 N 1.84 2.01 3.95 -1.23 0.00 -1.26 -4.97 105.19 105.53 2iuu n GLY 405 Ca 0.19 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2iuu n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s LYS 406 N 0.00 2.88 0.00 1.61 1.02 -0.66 -5.00 119.74 119.59 2iuu s LYS 406 Ca 0.00 -0.50 0.19 0.00 0.02 0.00 0.00 55.97 55.68 2iuu s LYS 406 Cb 0.00 -2.50 0.43 0.00 -0.52 0.00 0.00 37.83 35.24 2iuu s LYS 406 CO 0.00 -0.47 1.35 0.25 -0.92 0.00 0.00 175.35 175.57 2iuu n THR 407 N -2.23 0.71 -2.44 2.17 -2.24 -1.26 -4.67 114.28 104.31 2iuu n THR 407 Ca 0.04 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 2iuu n THR 407 Cb 0.58 0.77 0.04 0.00 -2.10 0.00 0.00 70.33 69.61 2iuu n THR 407 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2iuu s THR 408 N -1.18 3.33 0.29 4.28 -4.23 -1.26 -4.76 115.64 112.10 2iuu s THR 408 Ca 0.36 -0.16 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 2iuu s THR 408 Cb 0.20 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.66 2iuu s THR 408 CO 0.27 -0.32 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.22 2iuu s VAL 409 N -2.98 2.69 0.05 2.29 1.01 -0.32 -3.84 120.40 119.30 2iuu s VAL 409 Ca 0.55 -2.23 0.08 0.00 0.00 0.00 0.00 61.98 60.38 2iuu s VAL 409 Cb -0.10 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2iuu s VAL 409 CO 0.44 -0.35 -0.22 -0.83 0.00 0.00 0.00 175.10 174.13 2iuu s GLY 410 N -3.58 1.22 -0.16 4.51 0.00 -0.55 -0.39 107.32 108.37 2iuu s GLY 410 Ca 0.31 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 2iuu s GLY 410 CO 0.17 -1.07 -0.07 -0.42 0.00 0.00 0.00 173.10 171.71 2iuu s ILE 411 N -0.85 1.19 -0.41 0.90 1.01 -0.61 -0.01 121.20 122.42 2iuu s ILE 411 Ca 0.09 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 2iuu s ILE 411 Cb -0.09 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.09 2iuu s ILE 411 CO 0.02 0.19 0.33 -1.61 0.00 0.00 0.00 174.94 173.87 2iuu s GLU 412 N 1.61 3.00 -0.14 2.79 2.02 -0.32 -0.69 118.70 126.97 2iuu s GLU 412 Ca 0.01 -0.97 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 2iuu s GLU 412 Cb -0.15 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 2iuu s GLU 412 CO -0.08 -0.78 0.09 0.42 0.02 0.00 0.00 175.26 174.94 2iuu s ILE 413 N 1.77 5.09 0.16 -1.63 1.01 -0.37 -1.83 121.20 125.40 2iuu s ILE 413 Ca 0.06 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 2iuu s ILE 413 Cb -0.19 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 2iuu s ILE 413 CO 0.11 0.56 1.44 -2.84 0.00 0.00 0.00 174.94 174.21 2iuu s PRO 414 N -0.54 4.29 0.53 2.79 0.02 -1.26 -0.80 135.00 140.03 2iuu s PRO 414 Ca 0.11 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 2iuu s PRO 414 Cb -0.12 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 31.15 2iuu s PRO 414 CO 0.02 -0.46 1.18 -0.80 -0.33 0.00 0.00 177.00 176.61 2iuu s ASN 415 N 0.90 5.70 0.20 2.53 0.02 -0.64 -4.89 114.94 118.76 2iuu s ASN 415 Ca 0.64 2.32 -0.11 0.00 -1.02 0.00 0.00 52.86 54.70 2iuu s ASN 415 Cb -0.40 -2.60 0.14 0.00 0.02 0.00 0.00 41.25 38.42 2iuu s ASN 415 CO 0.34 -1.24 1.86 -0.33 0.02 0.00 0.00 177.10 177.75 2iuu h GLU 416 N 1.43 0.97 -4.67 -0.60 5.08 -1.94 -3.35 114.58 111.50 2iuu h GLU 416 Ca -0.50 -0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.11 2iuu h GLU 416 Cb 1.27 -0.21 -0.34 0.00 0.50 0.00 0.00 28.75 29.96 2iuu h GLU 416 CO 0.58 0.66 -0.66 -0.51 -1.00 0.00 0.00 179.01 178.08 2iuu s ASP 417 N -5.90 4.98 -0.15 1.42 1.01 -1.26 -5.07 116.67 111.70 2iuu s ASP 417 Ca -0.13 -1.63 -0.29 0.00 0.71 0.00 0.00 52.55 51.20 2iuu s ASP 417 Cb 0.15 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.33 2iuu s ASP 417 CO 0.78 -0.37 1.16 -0.60 0.21 0.00 0.00 175.17 176.35 2iuu s ARG 418 N 1.17 4.29 -0.04 8.23 3.52 -1.26 -4.93 118.95 129.93 2iuu s ARG 418 Ca 0.01 1.55 -0.18 0.00 -0.13 0.00 0.00 55.73 56.98 2iuu s ARG 418 Cb -0.21 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 2iuu s ARG 418 CO -0.03 -0.58 0.49 1.14 -0.81 0.00 0.00 175.30 175.51 2iuu s GLN 419 N 2.96 4.21 0.71 5.12 -2.07 -0.48 -5.02 119.66 125.09 2iuu s GLN 419 Ca 0.51 0.53 -0.13 0.00 -1.82 0.00 0.00 55.36 54.45 2iuu s GLN 419 Cb -0.20 -3.34 0.03 0.00 -1.09 0.00 0.00 33.01 28.41 2iuu s GLN 419 CO 0.14 0.40 1.12 1.41 -1.32 0.00 0.00 175.29 177.04 2iuu s MET 420 N -0.21 2.49 -0.22 9.60 -2.45 -1.26 -4.54 119.30 122.70 2iuu s MET 420 Ca 0.27 1.38 -0.01 0.00 -1.25 0.00 0.00 55.69 56.08 2iuu s MET 420 Cb -0.17 -1.91 0.02 0.00 1.25 0.00 0.00 34.83 34.02 2iuu s MET 420 CO 0.14 -1.49 -0.11 0.08 1.05 0.00 0.00 175.02 174.68 2iuu s VAL 421 N -2.48 2.61 0.04 10.11 1.01 -1.26 -4.97 120.40 125.47 2iuu s VAL 421 Ca 0.66 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2iuu s VAL 421 Cb -0.21 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2iuu s VAL 421 CO 0.47 0.32 0.53 -0.13 0.00 0.00 0.00 175.10 176.29 2iuu s ARG 422 N 1.31 4.14 0.26 2.72 1.81 -1.26 0.18 118.95 128.12 2iuu s ARG 422 Ca 0.02 0.64 -0.01 0.00 -1.72 0.00 0.00 55.73 54.66 2iuu s ARG 422 Cb -0.15 -3.25 0.56 0.00 -0.45 0.00 0.00 34.95 31.66 2iuu s ARG 422 CO -0.07 0.61 1.70 0.35 -0.68 0.00 0.00 175.30 177.22 2iuu h PHE 423 N 4.75 0.50 -0.28 -0.53 -0.00 -1.75 0.33 116.94 119.96 2iuu h PHE 423 Ca -0.49 0.04 0.07 0.00 -0.00 0.00 0.00 57.97 57.59 2iuu h PHE 423 Cb 1.21 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 37.06 2iuu h PHE 423 CO 0.68 -0.02 0.20 0.66 -0.00 0.00 0.00 178.31 179.84 2iuu h SER 424 N 0.38 0.03 0.88 0.41 4.64 -1.87 0.18 113.55 118.20 2iuu h SER 424 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2iuu h SER 424 Cb 0.81 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2iuu h SER 424 CO -0.48 0.02 0.00 -0.08 -0.87 0.00 0.00 176.83 175.42 2iuu h GLU 425 N 0.04 0.00 0.00 4.77 4.81 -0.66 -2.62 114.58 120.92 2iuu h GLU 425 Ca 0.13 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.93 2iuu h GLU 425 Cb 0.49 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 2iuu h GLU 425 CO -0.01 0.00 -2.48 0.28 -0.73 0.00 0.00 179.01 176.07 2iuu n VAL 426 N -2.62 1.46 0.35 0.32 0.31 0.54 -4.42 118.33 114.28 2iuu n VAL 426 Ca 0.02 -0.41 0.09 0.00 -0.01 0.00 0.00 64.34 64.02 2iuu n VAL 426 Cb 0.27 -1.76 0.40 0.00 -0.91 0.00 0.00 33.84 31.84 2iuu n VAL 426 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2iuu n LEU 427 N -3.99 0.39 0.24 7.52 4.77 -0.66 -2.16 117.00 123.11 2iuu n LEU 427 Ca -0.51 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2iuu n LEU 427 Cb 0.90 -0.58 0.37 0.00 -2.33 0.00 0.00 43.42 41.77 2iuu n LEU 427 CO 0.08 -0.52 0.85 0.77 -1.33 0.00 0.00 177.39 177.24 2iuu h SER 428 N 0.00 0.00 -4.02 -1.43 4.64 -1.67 -3.39 113.55 107.67 2iuu h SER 428 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2iuu h SER 428 Cb 0.24 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.52 2iuu h SER 428 CO 0.00 0.05 0.16 -1.54 -0.87 0.00 0.00 176.83 174.63 2iuu n SER 429 N -3.13 0.46 0.17 4.97 3.41 -0.92 -4.86 113.62 113.72 2iuu n SER 429 Ca 0.02 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.23 2iuu n SER 429 Cb 0.46 -1.45 0.26 0.00 -0.26 0.00 0.00 64.21 63.22 2iuu n SER 429 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2iuu h PRO 430 N -0.98 0.00 -0.51 4.33 0.13 -1.90 -2.45 132.00 130.63 2iuu h PRO 430 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2iuu h PRO 430 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2iuu h PRO 430 CO 0.44 0.44 0.26 0.93 -0.23 0.00 0.00 178.00 179.84 2iuu h GLU 431 N 0.00 0.71 -0.06 0.86 3.07 -1.94 0.18 114.58 117.40 2iuu h GLU 431 Ca -0.00 -0.09 -0.25 0.00 -0.50 0.00 0.00 59.36 58.51 2iuu h GLU 431 Cb 1.02 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 28.82 2iuu h GLU 431 CO 0.06 0.58 -0.93 -0.92 -1.40 0.00 0.00 179.01 176.39 2iuu h TYR 432 N 0.67 1.06 -0.18 4.33 3.20 -1.85 -2.62 116.97 121.58 2iuu h TYR 432 Ca 0.18 -0.53 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 2iuu h TYR 432 Cb 0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2iuu h TYR 432 CO -0.01 1.37 0.10 0.22 -1.64 0.00 0.00 178.16 178.20 2iuu h ASP 433 N 0.45 0.22 -0.07 -2.11 1.82 -1.28 -2.86 116.42 112.59 2iuu h ASP 433 Ca -0.10 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2iuu h ASP 433 Cb 1.57 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.53 2iuu h ASP 433 CO 0.19 0.22 0.00 -0.62 -1.61 0.00 0.00 179.24 177.42 2iuu n GLU 434 N -4.92 1.52 -1.84 0.28 1.02 0.04 -4.92 120.64 111.81 2iuu n GLU 434 Ca -0.04 -0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 55.92 2iuu n GLU 434 Cb 0.06 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2iuu n GLU 434 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2iuu s HIS 435 N -1.92 2.96 -1.15 -0.32 2.46 -0.99 -4.91 115.29 111.42 2iuu s HIS 435 Ca 0.36 0.57 0.25 0.00 0.47 0.00 0.00 55.06 56.71 2iuu s HIS 435 Cb 0.19 -4.02 0.59 0.00 -0.13 0.00 0.00 32.58 29.21 2iuu s HIS 435 CO 0.29 -3.73 1.47 1.17 -2.47 0.00 0.00 174.74 171.48 2iuu n LYS 436 N 3.60 0.17 -2.48 2.88 4.81 -1.26 -4.95 118.16 120.92 2iuu n LYS 436 Ca 0.13 -0.09 -0.33 0.00 -0.87 0.00 0.00 58.31 57.15 2iuu n LYS 436 Cb 0.37 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 2iuu n LYS 436 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2iuu s SER 437 N -2.90 6.42 0.39 3.14 0.15 -1.26 -4.95 113.70 114.69 2iuu s SER 437 Ca 0.14 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.81 2iuu s SER 437 Cb 0.18 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.41 2iuu s SER 437 CO 0.66 -0.72 1.65 0.71 1.20 0.00 0.00 173.24 176.74 2iuu h THR 438 N 1.30 0.00 -2.09 6.45 1.35 -1.92 -3.37 112.91 114.63 2iuu h THR 438 Ca -0.48 -0.87 -0.56 0.00 -0.55 0.00 0.00 66.41 63.95 2iuu h THR 438 Cb 1.20 1.87 -0.40 0.00 -1.73 0.00 0.00 68.15 69.09 2iuu h THR 438 CO 0.60 0.00 -0.93 1.33 -0.25 0.00 0.00 175.52 176.27 2iuu n VAL 439 N -2.90 0.77 -2.87 6.82 0.24 -1.26 -4.54 118.33 114.59 2iuu n VAL 439 Ca 0.04 -4.69 -0.32 0.00 -2.04 0.00 0.00 64.34 57.33 2iuu n VAL 439 Cb 0.50 -1.50 -0.06 0.00 -1.47 0.00 0.00 33.84 31.31 2iuu n VAL 439 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2iuu s PRO 440 N -2.16 4.08 -0.21 7.34 0.04 -1.26 -2.01 135.00 140.82 2iuu s PRO 440 Ca 0.40 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2iuu s PRO 440 Cb 0.23 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.54 2iuu s PRO 440 CO -0.08 -0.00 -0.07 -0.51 0.04 0.00 0.00 177.00 176.37 2iuu s LEU 441 N -3.29 2.33 -0.54 -3.56 1.43 0.12 -3.98 118.68 111.19 2iuu s LEU 441 Ca 0.58 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 2iuu s LEU 441 Cb -0.10 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 45.02 2iuu s LEU 441 CO 0.18 -0.20 0.81 0.00 0.23 0.00 0.00 176.35 177.38 2iuu s ALA 442 N 1.43 3.25 -0.00 4.21 0.00 -1.26 -0.35 121.76 129.03 2iuu s ALA 442 Ca -0.03 -1.52 -0.20 0.00 0.00 0.00 0.00 51.96 50.21 2iuu s ALA 442 Cb -0.17 -3.59 -0.27 0.00 0.00 0.00 0.00 23.12 19.08 2iuu s ALA 442 CO -0.07 -2.27 1.03 -0.07 0.00 0.00 0.00 175.76 174.37 2iuu h LEU 443 N 10.48 0.58 0.00 0.00 3.38 -1.62 -3.44 115.31 124.70 2iuu h LEU 443 Ca -0.27 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.86 2iuu h LEU 443 Cb 1.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2iuu h LEU 443 CO 1.05 1.36 0.00 0.61 0.09 0.00 0.00 178.44 181.55 2iuu n GLY 444 N 1.35 -0.32 3.48 0.83 0.00 -1.24 -2.42 105.19 106.87 2iuu n GLY 444 Ca -0.12 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2iuu n GLY 444 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iuu s HIS 445 N -4.00 2.63 1.08 1.61 3.76 -0.74 -0.41 115.29 119.22 2iuu s HIS 445 Ca 0.00 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.52 2iuu s HIS 445 Cb 0.00 -1.51 0.24 0.00 1.11 0.00 0.00 32.58 32.42 2iuu s HIS 445 CO 0.00 0.26 1.21 0.16 -0.85 0.00 0.00 174.74 175.52 2iuu s ASP 446 N -1.33 2.08 0.39 1.40 1.47 0.15 -0.04 116.67 120.79 2iuu s ASP 446 Ca 0.15 0.47 0.22 0.00 1.18 0.00 0.00 52.55 54.56 2iuu s ASP 446 Cb -0.11 -0.63 1.18 0.00 -0.34 0.00 0.00 42.92 43.02 2iuu s ASP 446 CO 0.05 -3.39 1.63 0.16 0.68 0.00 0.00 175.17 174.30 2iuu h ILE 447 N -2.09 0.00 -0.65 2.11 -0.00 -1.90 0.30 117.51 115.28 2iuu h ILE 447 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 2iuu h ILE 447 Cb 1.27 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.57 2iuu h ILE 447 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 179.13 2iuu n GLY 448 N -1.26 2.50 1.74 0.16 0.00 -1.26 -3.98 105.19 103.08 2iuu n GLY 448 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2iuu n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuu n GLY 449 N 1.46 1.33 3.76 -0.02 0.00 0.10 -4.87 105.19 106.95 2iuu n GLY 449 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2iuu n GLY 449 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iuu s ARG 450 N -0.42 4.74 0.18 1.61 0.52 -1.26 -4.67 118.95 119.64 2iuu s ARG 450 Ca 0.00 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.36 2iuu s ARG 450 Cb 0.00 -3.09 -0.08 0.00 0.52 0.00 0.00 34.95 32.30 2iuu s ARG 450 CO 0.00 0.40 1.26 -1.25 0.02 0.00 0.00 175.30 175.74 2iuu s PRO 451 N -1.53 4.43 -0.38 3.54 0.04 -1.26 0.33 135.00 140.16 2iuu s PRO 451 Ca 0.45 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 2iuu s PRO 451 Cb -0.24 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.13 2iuu s PRO 451 CO 0.29 -0.20 0.19 0.42 0.04 0.00 0.00 177.00 177.74 2iuu s ILE 452 N 0.17 4.09 -0.15 0.56 -1.09 0.46 -4.88 121.20 120.35 2iuu s ILE 452 Ca 0.56 -1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 2iuu s ILE 452 Cb -0.34 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2iuu s ILE 452 CO 0.36 -0.34 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.00 2iuu s ILE 453 N 1.43 3.17 0.43 2.92 1.09 -1.26 -1.43 121.20 127.54 2iuu s ILE 453 Ca 0.01 -0.60 0.05 0.00 -1.10 0.00 0.00 60.65 59.01 2iuu s ILE 453 Cb -0.21 -2.36 -0.06 0.00 -1.06 0.00 0.00 42.46 38.77 2iuu s ILE 453 CO 0.03 0.50 0.02 0.42 -0.10 0.00 0.00 174.94 175.81 2iuu s THR 454 N 0.62 1.69 -0.32 2.92 -4.23 0.53 -4.94 115.64 111.90 2iuu s THR 454 Ca -0.06 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2iuu s THR 454 Cb -0.15 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.01 2iuu s THR 454 CO 0.03 0.00 0.02 -0.62 -0.54 0.00 0.00 174.62 173.51 2iuu s ASP 455 N -3.72 4.73 0.26 3.99 3.68 -1.26 0.16 116.67 124.50 2iuu s ASP 455 Ca 0.28 -1.95 -0.02 0.00 2.13 0.00 0.00 52.55 52.99 2iuu s ASP 455 Cb 0.08 -1.62 0.53 0.00 -1.45 0.00 0.00 42.92 40.46 2iuu s ASP 455 CO 0.14 -0.34 1.71 0.25 0.13 0.00 0.00 175.17 177.06 2iuu h LEU 456 N 7.68 0.22 -2.04 -1.34 6.46 -1.74 0.33 115.31 124.89 2iuu h LEU 456 Ca -0.09 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2iuu h LEU 456 Cb 1.03 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2iuu h LEU 456 CO 0.52 0.04 0.00 0.00 -0.62 0.00 0.00 178.44 178.38 2iuu h ALA 457 N 1.61 1.00 -0.00 1.25 0.00 -1.85 -1.01 119.26 120.26 2iuu h ALA 457 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2iuu h ALA 457 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2iuu h ALA 457 CO -0.47 -0.00 -0.86 1.63 0.00 0.00 0.00 179.25 179.55 2iuu n LYS 458 N -2.57 0.59 0.00 0.00 4.76 0.11 -4.62 118.16 116.43 2iuu n LYS 458 Ca -0.02 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 2iuu n LYS 458 Cb 0.05 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 2iuu n LYS 458 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2iuu h MET 459 N 0.34 0.07 -0.51 1.97 2.86 -0.90 -3.47 114.93 115.29 2iuu h MET 459 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2iuu h MET 459 Cb 0.50 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2iuu h MET 459 CO 0.00 0.24 0.00 -0.35 1.06 0.00 0.00 176.91 177.86 2iuu n PRO 460 N -4.96 3.35 -3.90 -0.22 -0.04 -1.26 -4.28 135.00 123.70 2iuu n PRO 460 Ca -0.07 -2.68 -0.09 0.00 -0.04 0.00 0.00 63.50 60.62 2iuu n PRO 460 Cb 0.12 -1.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 2iuu n PRO 460 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2iuu s HIS 461 N -1.80 0.17 -0.01 0.54 3.76 -1.26 -4.11 115.29 112.56 2iuu s HIS 461 Ca 0.43 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.88 2iuu s HIS 461 Cb 0.28 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.86 2iuu s HIS 461 CO 0.20 -0.42 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.43 2iuu s LEU 462 N -2.29 1.87 -0.17 0.89 2.96 0.74 -4.10 118.68 118.59 2iuu s LEU 462 Ca -0.03 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2iuu s LEU 462 Cb 0.00 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 2iuu s LEU 462 CO -0.06 0.06 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.18 2iuu s LEU 463 N 0.06 2.81 -0.09 -0.68 1.43 -1.08 -0.58 118.68 120.55 2iuu s LEU 463 Ca -0.00 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2iuu s LEU 463 Cb -0.06 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2iuu s LEU 463 CO -0.00 0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.79 2iuu s VAL 464 N 0.82 1.62 0.04 -1.59 1.01 0.15 -1.03 120.40 121.42 2iuu s VAL 464 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2iuu s VAL 464 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2iuu s VAL 464 CO 0.01 0.46 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 2iuu s ALA 465 N 0.55 0.67 0.00 5.51 0.00 -0.86 -1.05 121.76 126.57 2iuu s ALA 465 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2iuu s ALA 465 Cb -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2iuu s ALA 465 CO 0.06 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2iuu n GLY 466 N 1.62 1.21 3.78 0.00 0.00 -0.87 -0.42 105.19 110.50 2iuu n GLY 466 Ca -0.21 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2iuu n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iuu s THR 467 N -0.30 3.04 0.21 2.61 -4.23 -0.58 -4.10 115.64 112.29 2iuu s THR 467 Ca 0.00 0.34 -0.32 0.00 -1.18 0.00 0.00 61.69 60.53 2iuu s THR 467 Cb 0.00 -2.99 -0.13 0.00 1.34 0.00 0.00 72.50 70.72 2iuu s THR 467 CO 0.00 -0.44 1.50 0.35 -0.54 0.00 0.00 174.62 175.48 2iuu n THR 468 N -3.55 0.54 0.00 3.99 -2.24 -1.26 -1.27 114.28 110.50 2iuu n THR 468 Ca 0.07 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2iuu n THR 468 Cb 0.55 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 2iuu n THR 468 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iuu n GLY 469 N 2.70 1.49 0.20 3.38 0.00 -1.26 -4.94 105.19 106.77 2iuu n GLY 469 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2iuu n GLY 469 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iuu h SER 470 N 0.00 0.00 0.00 1.61 4.64 -1.46 -3.25 113.55 115.08 2iuu h SER 470 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuu h SER 470 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2iuu h SER 470 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2iuu n GLY 471 N 0.54 1.57 0.14 -0.77 0.00 -1.26 -0.47 105.19 104.93 2iuu n GLY 471 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2iuu n GLY 471 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2iuu h LYS 472 N 0.00 0.36 -0.49 1.61 3.64 -1.90 -2.46 116.57 117.34 2iuu h LYS 472 Ca 0.00 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2iuu h LYS 472 Cb 0.04 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2iuu h LYS 472 CO 0.00 0.80 0.26 0.77 -2.27 0.00 0.00 179.45 179.02 2iuu h SER 473 N -0.04 0.40 -0.54 4.20 0.02 -1.96 -0.07 113.55 115.56 2iuu h SER 473 Ca 0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2iuu h SER 473 Cb 0.77 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 2iuu h SER 473 CO 0.05 0.28 0.28 0.58 -1.14 0.00 0.00 176.83 176.87 2iuu h VAL 474 N 0.52 1.19 -0.09 2.27 2.07 -1.92 -1.62 116.25 118.67 2iuu h VAL 474 Ca 0.21 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2iuu h VAL 474 Cb 0.08 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2iuu h VAL 474 CO -0.13 0.21 -0.07 1.23 0.02 0.00 0.00 177.57 178.84 2iuu h GLY 475 N 0.73 0.14 0.99 2.17 0.00 -0.88 0.15 103.07 106.37 2iuu h GLY 475 Ca 0.19 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 2iuu h GLY 475 CO -0.03 0.06 -0.50 -2.08 0.00 0.00 0.00 176.54 173.99 2iuu h VAL 476 N 0.13 1.32 -0.75 4.60 2.07 -0.65 -1.30 116.25 121.66 2iuu h VAL 476 Ca 0.03 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2iuu h VAL 476 Cb 0.20 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2iuu h VAL 476 CO 0.01 0.54 0.46 0.78 0.02 0.00 0.00 177.57 179.39 2iuu h ASN 477 N 0.36 0.88 -0.53 0.57 2.35 -0.27 0.12 115.58 119.06 2iuu h ASN 477 Ca -0.01 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2iuu h ASN 477 Cb 1.12 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 2iuu h ASN 477 CO 0.11 0.67 0.15 0.00 -1.65 0.00 0.00 177.43 176.71 2iuu h ALA 478 N 1.49 1.18 -0.08 -0.83 0.00 -0.53 0.94 119.26 121.43 2iuu h ALA 478 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2iuu h ALA 478 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2iuu h ALA 478 CO -0.05 0.56 -0.01 0.52 0.00 0.00 0.00 179.25 180.27 2iuu h MET 479 N 0.86 0.16 -0.46 0.00 2.86 0.11 -1.83 114.93 116.62 2iuu h MET 479 Ca 0.19 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2iuu h MET 479 Cb 0.29 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2iuu h MET 479 CO -0.00 0.45 0.23 -0.07 1.06 0.00 0.00 176.91 178.58 2iuu h LEU 480 N -0.15 0.60 -1.53 1.22 3.38 -0.55 -2.44 115.31 115.85 2iuu h LEU 480 Ca 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2iuu h LEU 480 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2iuu h LEU 480 CO 0.01 0.55 -0.14 -0.07 0.09 0.00 0.00 178.44 178.88 2iuu h LEU 481 N 0.61 0.12 -1.25 1.67 4.07 -0.83 -0.87 115.31 118.81 2iuu h LEU 481 Ca 0.16 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.11 2iuu h LEU 481 Cb 0.10 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 2iuu h LEU 481 CO -0.02 0.28 0.50 0.28 -1.08 0.00 0.00 178.44 178.40 2iuu h SER 482 N 0.12 0.87 0.24 -0.43 0.02 -0.83 -0.18 113.55 113.36 2iuu h SER 482 Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2iuu h SER 482 Cb 0.33 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2iuu h SER 482 CO 0.02 0.63 -0.11 0.40 -1.14 0.00 0.00 176.83 176.63 2iuu h ILE 483 N 1.03 0.37 -0.44 3.27 1.08 -1.20 -3.30 117.51 118.33 2iuu h ILE 483 Ca 0.28 -0.92 0.13 0.00 -0.39 0.00 0.00 64.86 63.96 2iuu h ILE 483 Cb -0.12 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 2iuu h ILE 483 CO -0.06 0.10 0.47 -0.07 -0.69 0.00 0.00 178.15 177.91 2iuu h LEU 484 N -1.01 0.00 -0.60 1.44 3.38 -0.99 0.21 115.31 117.73 2iuu h LEU 484 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iuu h LEU 484 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2iuu h LEU 484 CO 0.05 0.00 -0.12 0.49 0.09 0.00 0.00 178.44 178.95 2iuu n PHE 485 N -3.69 0.00 0.00 1.13 0.99 -0.10 -4.31 117.46 111.48 2iuu n PHE 485 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 2iuu n PHE 485 Cb 0.66 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 39.06 2iuu n PHE 485 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2iuu n LYS 486 N -0.40 2.28 -4.30 -1.08 4.81 0.52 -4.95 118.16 115.04 2iuu n LYS 486 Ca 0.16 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.36 2iuu n LYS 486 Cb 0.33 -0.83 -0.12 0.00 0.02 0.00 0.00 35.03 34.42 2iuu n LYS 486 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2iuu s SER 487 N -1.71 2.58 0.31 3.14 0.01 0.04 -5.03 113.70 113.04 2iuu s SER 487 Ca 0.00 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.57 2iuu s SER 487 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 2iuu s SER 487 CO 0.00 0.05 0.48 0.42 0.41 0.00 0.00 173.24 174.60 2iuu s THR 488 N -1.26 5.11 0.61 1.44 -4.23 -1.26 -4.68 115.64 111.37 2iuu s THR 488 Ca 0.08 -0.69 0.27 0.00 -1.18 0.00 0.00 61.69 60.17 2iuu s THR 488 Cb -0.09 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.24 2iuu s THR 488 CO 0.05 -0.45 1.74 -0.65 -0.54 0.00 0.00 174.62 174.76 2iuu h PRO 489 N 0.91 0.00 -0.00 3.99 0.11 -1.89 0.38 132.00 135.49 2iuu h PRO 489 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2iuu h PRO 489 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2iuu h PRO 489 CO 0.61 0.00 -0.23 -1.13 -0.21 0.00 0.00 178.00 177.04 2iuu n SER 490 N -3.36 0.69 -0.03 -2.05 3.41 -1.26 -3.77 113.62 107.24 2iuu n SER 490 Ca 0.08 -0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 58.09 2iuu n SER 490 Cb 0.78 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 2iuu n SER 490 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iuu n GLU 491 N -0.95 1.46 -3.68 4.33 1.02 0.12 -4.00 120.64 118.95 2iuu n GLU 491 Ca 0.12 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2iuu n GLU 491 Cb 0.32 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.38 2iuu n GLU 491 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iuu s ALA 492 N -2.48 -1.32 0.18 0.62 0.00 -0.60 -1.45 121.76 116.72 2iuu s ALA 492 Ca -0.05 1.80 0.10 0.00 0.00 0.00 0.00 51.96 53.82 2iuu s ALA 492 Cb 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2iuu s ALA 492 CO 0.45 -0.35 -0.19 1.03 0.00 0.00 0.00 175.76 176.70 2iuu s ARG 493 N 1.60 1.72 0.07 0.00 1.81 0.46 -4.21 118.95 120.41 2iuu s ARG 493 Ca -0.09 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 52.57 2iuu s ARG 493 Cb -0.08 -1.97 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 2iuu s ARG 493 CO -0.15 0.42 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.20 2iuu s LEU 494 N -2.69 2.24 -0.17 2.53 1.43 -0.17 -0.83 118.68 121.03 2iuu s LEU 494 Ca 0.22 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2iuu s LEU 494 Cb -0.08 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.41 2iuu s LEU 494 CO 0.12 0.05 -0.09 -0.63 0.23 0.00 0.00 176.35 176.02 2iuu s ILE 495 N -1.05 1.41 -0.25 -0.59 1.01 -0.04 -1.14 121.20 120.55 2iuu s ILE 495 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2iuu s ILE 495 Cb -0.09 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2iuu s ILE 495 CO 0.03 0.24 0.01 -0.04 0.00 0.00 0.00 174.94 175.17 2iuu s MET 496 N 1.52 3.19 -0.31 2.79 -1.94 -1.26 -1.19 119.30 122.09 2iuu s MET 496 Ca 0.01 -0.76 -0.08 0.00 -1.71 0.00 0.00 55.69 53.15 2iuu s MET 496 Cb -0.15 -3.16 0.01 0.00 2.01 0.00 0.00 34.83 33.54 2iuu s MET 496 CO -0.09 -0.32 0.12 0.42 -0.01 0.00 0.00 175.02 175.14 2iuu s ILE 497 N 1.47 4.26 -0.72 2.53 1.01 -0.36 0.74 121.20 130.12 2iuu s ILE 497 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2iuu s ILE 497 Cb -0.16 -3.23 0.17 0.00 0.01 0.00 0.00 42.46 39.26 2iuu s ILE 497 CO -0.01 0.02 0.52 -0.62 0.00 0.00 0.00 174.94 174.85 2iuu s ASP 498 N 1.54 4.95 0.53 3.58 3.68 0.57 -1.47 116.67 130.05 2iuu s ASP 498 Ca 0.03 -3.83 0.19 0.00 2.13 0.00 0.00 52.55 51.06 2iuu s ASP 498 Cb -0.18 -1.67 1.03 0.00 -1.45 0.00 0.00 42.92 40.66 2iuu s ASP 498 CO 0.04 -0.10 1.53 1.55 0.13 0.00 0.00 175.17 178.33 2iuu h PRO 499 N 5.47 0.00 -4.88 4.34 0.13 -1.85 -3.25 132.00 131.96 2iuu h PRO 499 Ca 0.14 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.60 2iuu h PRO 499 Cb 0.76 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.54 2iuu h PRO 499 CO 0.73 0.00 -0.78 0.15 -0.23 0.00 0.00 178.00 177.88 2iuu s LYS 500 N -3.75 2.52 0.00 0.86 1.02 -1.26 -4.96 119.74 114.17 2iuu s LYS 500 Ca -0.02 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2iuu s LYS 500 Cb 0.05 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2iuu s LYS 500 CO 0.17 -0.49 0.00 -1.33 -0.92 0.00 0.00 175.35 172.78 2iuu n MET 501 N 4.55 0.00 0.00 1.68 2.81 -1.23 -4.01 117.12 120.92 2iuu n MET 501 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2iuu n MET 501 Cb 0.45 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 2iuu n MET 501 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2iuu n LEU 502 N 1.03 0.00 -0.33 4.03 0.00 -1.26 -4.71 117.00 115.76 2iuu n LEU 502 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 2iuu n LEU 502 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 2iuu n LEU 502 CO 0.00 0.00 0.46 -0.62 0.00 0.00 0.00 177.39 177.23 2iuu n GLU 503 N 0.00 -0.25 0.00 1.96 -0.58 -1.26 -2.45 120.64 118.06 2iuu n GLU 503 Ca 0.00 1.27 0.13 0.00 -0.42 0.00 0.00 57.16 58.14 2iuu n GLU 503 Cb 0.00 -1.88 0.39 0.00 -0.57 0.00 0.00 31.44 29.38 2iuu n GLU 503 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2iuu n LEU 504 N -5.16 0.43 0.11 -4.62 4.77 -1.26 -3.96 117.00 107.30 2iuu n LEU 504 Ca 0.06 0.09 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2iuu n LEU 504 Cb 0.29 -0.29 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 2iuu n LEU 504 CO -0.12 0.10 0.76 -1.20 -1.33 0.00 0.00 177.39 175.60 2iuu n SER 505 N -1.35 0.42 0.13 -1.43 7.64 -1.02 -1.54 113.62 116.47 2iuu n SER 505 Ca 0.08 0.66 0.13 0.00 1.01 0.00 0.00 58.87 60.74 2iuu n SER 505 Cb 0.33 -0.73 0.47 0.00 -1.01 0.00 0.00 64.21 63.27 2iuu n SER 505 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iuu n ILE 506 N -2.03 0.75 0.74 0.44 0.00 -1.25 -2.83 119.36 115.17 2iuu n ILE 506 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 62.75 62.91 2iuu n ILE 506 Cb 0.10 -0.96 0.27 0.00 0.00 0.00 0.00 39.64 39.05 2iuu n ILE 506 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2iuu n TYR 507 N -2.30 0.34 -1.63 9.51 4.02 -0.59 -4.94 117.16 121.58 2iuu n TYR 507 Ca 0.03 -0.17 -0.47 0.00 -0.01 0.00 0.00 57.90 57.28 2iuu n TYR 507 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2iuu n TYR 507 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2iuu n GLU 508 N 1.01 1.66 0.00 -0.72 4.07 -1.13 -2.72 120.64 122.81 2iuu n GLU 508 Ca 0.18 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 2iuu n GLU 508 Cb 0.50 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 2iuu n GLU 508 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iuu n GLY 509 N 2.21 2.66 3.77 8.31 0.00 -1.26 -5.05 105.19 115.83 2iuu n GLY 509 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2iuu n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iuu s ILE 510 N -2.29 2.11 0.46 -0.61 -4.36 -1.10 -3.67 121.20 111.73 2iuu s ILE 510 Ca 0.00 0.10 0.36 0.00 -0.26 0.00 0.00 60.65 60.85 2iuu s ILE 510 Cb 0.00 -3.06 0.36 0.00 1.25 0.00 0.00 42.46 41.01 2iuu s ILE 510 CO 0.00 0.01 2.10 1.55 0.24 0.00 0.00 174.94 178.84 2iuu h PRO 511 N 2.39 0.00 0.00 0.37 0.13 -1.78 -2.73 132.00 130.38 2iuu h PRO 511 Ca -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2iuu h PRO 511 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2iuu h PRO 511 CO 0.61 0.00 -0.42 0.45 -0.23 0.00 0.00 178.00 178.41 2iuu h HIS 512 N 0.00 0.00 -3.04 1.56 3.86 -1.89 -3.37 115.15 112.27 2iuu h HIS 512 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2iuu h HIS 512 Cb 0.15 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.69 2iuu h HIS 512 CO 0.00 0.42 0.89 1.28 0.86 0.00 0.00 177.93 181.38 2iuu n LEU 513 N -3.56 4.13 0.10 2.43 4.77 -1.03 -1.00 117.00 122.84 2iuu n LEU 513 Ca -0.00 1.12 0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2iuu n LEU 513 Cb 0.54 -1.57 0.18 0.00 -2.33 0.00 0.00 43.42 40.23 2iuu n LEU 513 CO 0.38 0.10 0.43 -0.07 -1.33 0.00 0.00 177.39 176.89 2iuu h LEU 514 N 5.29 0.00 -7.87 2.23 3.38 -1.42 -3.39 115.31 113.52 2iuu h LEU 514 Ca -0.46 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.51 2iuu h LEU 514 Cb 1.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2iuu h LEU 514 CO 0.84 0.06 0.35 0.00 0.09 0.00 0.00 178.44 179.77 2iuu s PRO 516 N -3.44 0.20 -0.04 0.00 0.02 -1.26 -4.82 135.00 125.66 2iuu s PRO 516 Ca 0.12 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 2iuu s PRO 516 Cb -0.04 -1.66 -0.07 0.00 0.02 0.00 0.00 34.50 32.75 2iuu s PRO 516 CO 0.06 -3.05 1.91 0.08 -0.33 0.00 0.00 177.00 175.66 2iuu s VAL 517 N -2.61 3.20 -0.13 3.83 1.01 -1.26 -4.72 120.40 119.70 2iuu s VAL 517 Ca 0.67 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 2iuu s VAL 517 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2iuu s VAL 517 CO 0.61 -0.04 1.60 -0.69 0.00 0.00 0.00 175.10 176.57 2iuu s VAL 518 N 4.96 3.71 -0.13 2.92 1.01 0.23 -4.86 120.40 128.23 2iuu s VAL 518 Ca 0.85 0.83 0.06 0.00 0.00 0.00 0.00 61.98 63.73 2iuu s VAL 518 Cb -0.38 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 2iuu s VAL 518 CO 0.37 -0.16 -0.04 0.41 0.00 0.00 0.00 175.10 175.69 2iuu n THR 519 N 5.84 0.81 -2.82 3.92 -1.04 -1.26 -0.31 114.28 119.42 2iuu n THR 519 Ca 0.18 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 2iuu n THR 519 Cb 0.44 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 68.08 2iuu n THR 519 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2iuu s ASP 520 N -4.86 7.01 0.34 8.00 2.15 -1.26 -4.72 116.67 123.33 2iuu s ASP 520 Ca -0.12 1.25 0.05 0.00 0.43 0.00 0.00 52.55 54.16 2iuu s ASP 520 Cb 0.04 -2.48 0.61 0.00 -0.30 0.00 0.00 42.92 40.79 2iuu s ASP 520 CO 0.41 -0.46 1.86 0.24 -0.17 0.00 0.00 175.17 177.05 2iuu h MET 521 N 7.34 0.44 -0.82 4.34 2.86 -1.96 -1.15 114.93 125.98 2iuu h MET 521 Ca -0.28 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2iuu h MET 521 Cb 1.12 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2iuu h MET 521 CO 0.86 0.53 0.49 0.87 1.06 0.00 0.00 176.91 180.73 2iuu h LYS 522 N 0.42 1.12 -0.54 1.72 1.79 -1.96 -0.43 116.57 118.69 2iuu h LYS 522 Ca 0.08 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 2iuu h LYS 522 Cb 0.41 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2iuu h LYS 522 CO 0.02 0.79 0.01 0.93 -1.08 0.00 0.00 179.45 180.12 2iuu h GLU 523 N 1.13 0.91 -0.92 3.15 5.08 -1.67 -2.56 114.58 119.69 2iuu h GLU 523 Ca 0.29 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2iuu h GLU 523 Cb -0.04 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2iuu h GLU 523 CO -0.05 0.89 0.59 0.00 -1.00 0.00 0.00 179.01 179.44 2iuu h ALA 524 N 1.17 1.17 -0.87 3.43 0.00 -0.36 -0.02 119.26 123.78 2iuu h ALA 524 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2iuu h ALA 524 Cb 0.48 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2iuu h ALA 524 CO 0.02 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.42 2iuu h ALA 525 N 1.32 1.16 -0.29 0.00 0.00 -0.72 -1.41 119.26 119.33 2iuu h ALA 525 Ca 0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2iuu h ALA 525 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2iuu h ALA 525 CO -0.07 0.37 -0.22 -0.91 0.00 0.00 0.00 179.25 178.42 2iuu h ASN 526 N 1.06 0.53 -0.58 0.00 2.35 -0.86 -0.98 115.58 117.11 2iuu h ASN 526 Ca 0.36 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2iuu h ASN 526 Cb 0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2iuu h ASN 526 CO -0.13 0.76 0.21 0.00 -1.65 0.00 0.00 177.43 176.61 2iuu h ALA 527 N 1.29 1.20 -0.27 -0.83 0.00 -0.05 0.48 119.26 121.08 2iuu h ALA 527 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2iuu h ALA 527 Cb 0.64 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2iuu h ALA 527 CO 0.05 0.57 -0.09 -0.07 0.00 0.00 0.00 179.25 179.70 2iuu h LEU 528 N 0.91 0.55 -0.46 0.00 3.38 -0.84 -0.65 115.31 118.18 2iuu h LEU 528 Ca 0.21 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2iuu h LEU 528 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2iuu h LEU 528 CO -0.01 0.81 0.29 0.03 0.09 0.00 0.00 178.44 179.64 2iuu h ARG 529 N 0.28 0.56 -0.74 1.13 3.08 -0.65 -1.29 114.38 116.76 2iuu h ARG 529 Ca 0.06 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.16 2iuu h ARG 529 Cb 0.58 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2iuu h ARG 529 CO 0.03 0.37 0.41 2.35 -1.07 0.00 0.00 179.97 182.06 2iuu h TRP 530 N 0.58 0.74 -0.60 3.04 7.01 0.18 -0.82 115.95 126.07 2iuu h TRP 530 Ca 0.18 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 2iuu h TRP 530 Cb -0.02 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 2iuu h TRP 530 CO -0.06 0.31 0.21 0.77 -2.79 0.00 0.00 178.44 176.89 2iuu h SER 531 N 0.71 0.82 -0.64 2.65 0.02 -0.33 0.22 113.55 117.00 2iuu h SER 531 Ca 0.35 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2iuu h SER 531 Cb 0.30 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2iuu h SER 531 CO -0.23 0.76 0.17 0.58 -1.14 0.00 0.00 176.83 176.98 2iuu h VAL 532 N 0.88 1.25 -0.09 2.27 2.07 -0.07 0.64 116.25 123.19 2iuu h VAL 532 Ca 0.20 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2iuu h VAL 532 Cb 0.22 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2iuu h VAL 532 CO -0.01 0.34 0.01 0.00 0.02 0.00 0.00 177.57 177.93 2iuu h ALA 533 N 1.06 0.12 -0.59 1.67 0.00 -0.65 -0.02 119.26 120.85 2iuu h ALA 533 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2iuu h ALA 533 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2iuu h ALA 533 CO -0.00 -0.22 0.39 1.49 0.00 0.00 0.00 179.25 180.91 2iuu h GLU 534 N -0.10 0.58 -0.03 0.00 4.57 -0.37 0.19 114.58 119.40 2iuu h GLU 534 Ca 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2iuu h GLU 534 Cb 0.31 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2iuu h GLU 534 CO 0.00 0.38 0.00 1.98 -1.18 0.00 0.00 179.01 180.20 2iuu h MET 535 N 0.60 0.06 -0.93 1.92 4.05 -0.45 -1.69 114.93 118.49 2iuu h MET 535 Ca 0.25 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.66 2iuu h MET 535 Cb 0.23 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 2iuu h MET 535 CO -0.07 0.35 0.61 0.93 0.23 0.00 0.00 176.91 178.96 2iuu h GLU 536 N -0.24 1.22 -0.66 0.39 4.39 0.16 -1.45 114.58 118.40 2iuu h GLU 536 Ca 0.01 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2iuu h GLU 536 Cb 0.32 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2iuu h GLU 536 CO 0.00 0.80 0.16 -0.09 -1.16 0.00 0.00 179.01 178.73 2iuu h ARG 537 N 1.25 1.05 -0.54 2.33 2.43 -0.60 -1.82 114.38 118.49 2iuu h ARG 537 Ca 0.34 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2iuu h ARG 537 Cb -0.14 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 2iuu h ARG 537 CO -0.08 0.94 0.04 0.00 -1.51 0.00 0.00 179.97 179.37 2iuu h ARG 538 N 0.97 0.92 -0.67 0.20 3.08 -0.77 -0.08 114.38 118.02 2iuu h ARG 538 Ca 0.21 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2iuu h ARG 538 Cb 0.36 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2iuu h ARG 538 CO 0.00 0.91 0.40 1.88 -1.07 0.00 0.00 179.97 182.10 2iuu h TYR 539 N 0.80 0.89 -0.59 3.04 -1.99 -1.11 0.12 116.97 118.12 2iuu h TYR 539 Ca 0.16 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2iuu h TYR 539 Cb 0.47 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2iuu h TYR 539 CO 0.03 0.61 0.38 -0.09 -0.00 0.00 0.00 178.16 179.09 2iuu h ARG 540 N 0.92 0.79 0.77 4.88 2.43 -1.02 -0.81 114.38 122.34 2iuu h ARG 540 Ca 0.24 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2iuu h ARG 540 Cb -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2iuu h ARG 540 CO -0.04 0.54 -0.44 1.25 -1.51 0.00 0.00 179.97 179.76 2iuu h LEU 541 N 0.80 -1.10 -1.51 3.80 6.46 -0.33 -2.73 115.31 120.70 2iuu h LEU 541 Ca 0.22 0.06 0.17 0.00 -0.12 0.00 0.00 57.88 58.20 2iuu h LEU 541 Cb -0.07 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 2iuu h LEU 541 CO -0.04 -0.70 0.55 0.24 -0.62 0.00 0.00 178.44 177.87 2iuu h MET 542 N -1.12 0.44 -0.07 1.25 2.86 -0.64 -0.52 114.93 117.13 2iuu h MET 542 Ca -0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2iuu h MET 542 Cb 0.89 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2iuu h MET 542 CO 0.12 0.29 0.04 0.00 1.06 0.00 0.00 176.91 178.43 2iuu h ALA 543 N 1.62 0.09 -0.64 6.32 0.00 -1.00 0.29 119.26 125.94 2iuu h ALA 543 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2iuu h ALA 543 Cb 0.95 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2iuu h ALA 543 CO -0.15 -0.39 0.40 0.00 0.00 0.00 0.00 179.25 179.10 2iuu h ALA 544 N 0.97 1.49 0.00 0.00 0.00 -0.83 -1.95 119.26 118.93 2iuu h ALA 544 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iuu h ALA 544 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2iuu h ALA 544 CO -0.00 0.45 0.00 0.52 0.00 0.00 0.00 179.25 180.22 2iuu h MET 545 N 0.88 0.00 -1.29 0.00 2.07 -0.86 -3.47 114.93 112.26 2iuu h MET 545 Ca 0.23 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.78 2iuu h MET 545 Cb -0.05 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.69 2iuu h MET 545 CO -0.05 0.00 -0.12 0.41 1.07 0.00 0.00 176.91 178.22 2iuu n GLY 546 N 0.96 0.43 3.50 8.32 0.00 -0.05 -5.05 105.19 113.30 2iuu n GLY 546 Ca 0.04 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 2iuu n GLY 546 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuu s VAL 547 N -2.64 2.92 -0.28 1.61 1.01 -0.37 -5.05 120.40 117.60 2iuu s VAL 547 Ca 0.06 -1.48 0.23 0.00 0.00 0.00 0.00 61.98 60.79 2iuu s VAL 547 Cb -0.03 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2iuu s VAL 547 CO 0.07 0.10 1.01 0.54 0.00 0.00 0.00 175.10 176.82 2iuu n ARG 548 N 0.76 0.56 -3.76 2.72 1.74 -1.26 -4.42 116.66 113.01 2iuu n ARG 548 Ca -0.15 0.08 -0.03 0.00 -0.77 0.00 0.00 57.85 56.98 2iuu n ARG 548 Cb 0.53 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2iuu n ARG 548 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2iuu s ASN 549 N -5.07 -0.13 0.30 0.55 2.20 -1.26 -4.88 114.94 106.65 2iuu s ASN 549 Ca -0.00 -0.41 0.04 0.00 -0.94 0.00 0.00 52.86 51.55 2iuu s ASN 549 Cb 0.11 0.44 0.77 0.00 -2.00 0.00 0.00 41.25 40.57 2iuu s ASN 549 CO 0.80 -0.83 1.67 0.25 -2.94 0.00 0.00 177.10 176.05 2iuu h LEU 550 N 2.00 0.21 0.53 3.54 5.85 -1.52 0.11 115.31 126.04 2iuu h LEU 550 Ca -0.26 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2iuu h LEU 550 Cb 1.22 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2iuu h LEU 550 CO 0.27 -0.09 -0.37 0.00 -0.34 0.00 0.00 178.44 177.92 2iuu h ALA 551 N 1.76 -0.90 -0.77 1.25 0.00 -1.96 0.65 119.26 119.30 2iuu h ALA 551 Ca 0.58 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2iuu h ALA 551 Cb 1.16 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2iuu h ALA 551 CO -0.59 -1.03 0.50 0.78 0.00 0.00 0.00 179.25 178.91 2iuu h GLY 552 N -0.87 1.06 0.99 0.00 0.00 -1.53 -1.23 103.07 101.48 2iuu h GLY 552 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2iuu h GLY 552 CO 0.03 0.28 -0.14 -2.75 0.00 0.00 0.00 176.54 173.96 2iuu h PHE 553 N 0.88 -0.38 0.00 5.60 3.57 -0.47 -2.34 116.94 123.80 2iuu h PHE 553 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2iuu h PHE 553 Cb 0.14 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2iuu h PHE 553 CO -0.00 -0.23 -0.06 -0.91 -2.23 0.00 0.00 178.31 174.88 2iuu h ASN 554 N -0.42 0.00 0.39 0.41 -0.26 -0.07 -1.75 115.58 113.88 2iuu h ASN 554 Ca -0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2iuu h ASN 554 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2iuu h ASN 554 CO 0.07 0.06 -0.19 0.03 -1.06 0.00 0.00 177.43 176.34 2iuu h ARG 555 N 0.00 -0.50 -0.82 0.81 3.08 -1.02 -1.03 114.38 114.90 2iuu h ARG 555 Ca -0.00 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2iuu h ARG 555 Cb 0.13 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.15 2iuu h ARG 555 CO 0.01 -0.19 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.13 2iuu h LYS 556 N -0.96 -0.07 -0.24 0.04 1.63 -1.00 0.32 116.57 116.30 2iuu h LYS 556 Ca -0.05 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 2iuu h LYS 556 Cb 0.54 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2iuu h LYS 556 CO 0.09 -0.05 -0.23 -0.24 -3.45 0.00 0.00 179.45 175.57 2iuu h VAL 557 N -0.07 1.25 0.09 2.00 3.04 -1.35 -1.93 116.25 119.29 2iuu h VAL 557 Ca 0.29 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 2iuu h VAL 557 Cb 0.58 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2iuu h VAL 557 CO -0.86 0.38 -0.04 0.50 -1.01 0.00 0.00 177.57 176.54 2iuu h LYS 558 N 0.39 -0.11 -0.53 4.17 3.64 0.39 -2.70 116.57 121.83 2iuu h LYS 558 Ca 0.06 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.56 2iuu h LYS 558 Cb 0.61 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 2iuu h LYS 558 CO 0.04 0.38 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.05 2iuu h ASP 559 N -0.69 -0.46 -0.77 4.20 3.32 -0.44 0.10 116.42 121.68 2iuu h ASP 559 Ca -0.01 0.15 0.15 0.00 0.02 0.00 0.00 57.03 57.34 2iuu h ASP 559 Cb 0.55 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 2iuu h ASP 559 CO 0.02 -0.17 0.32 0.00 -1.72 0.00 0.00 179.24 177.69 2iuu h ALA 560 N 1.52 1.10 -0.27 3.45 0.00 -1.37 0.69 119.26 124.39 2iuu h ALA 560 Ca 0.25 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 2iuu h ALA 560 Cb 0.39 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2iuu h ALA 560 CO -0.53 -0.20 -0.47 0.93 0.00 0.00 0.00 179.25 178.97 2iuu h GLU 561 N 0.46 0.71 0.00 0.00 5.08 -0.55 -2.18 114.58 118.11 2iuu h GLU 561 Ca 0.43 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2iuu h GLU 561 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2iuu h GLU 561 CO -0.41 1.03 0.00 0.93 -1.00 0.00 0.00 179.01 179.56 2iuu h GLU 562 N 0.57 0.00 -0.65 2.33 5.08 0.09 -2.37 114.58 119.62 2iuu h GLU 562 Ca 0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.13 2iuu h GLU 562 Cb 1.03 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.12 2iuu h GLU 562 CO 0.10 0.00 0.25 0.00 -1.00 0.00 0.00 179.01 178.36 2iuu n ALA 563 N -1.88 4.60 0.00 3.43 0.00 0.13 -4.94 120.51 121.86 2iuu n ALA 563 Ca 0.02 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.76 2iuu n ALA 563 Cb 0.28 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2iuu n ALA 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 564 N -0.73 0.00 3.17 0.00 0.00 -0.89 -4.79 105.19 101.94 2iuu n GLY 564 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 2iuu n GLY 564 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2iuu n THR 565 N -1.16 4.67 -1.68 2.61 -1.04 -0.85 -4.96 114.28 111.87 2iuu n THR 565 Ca 0.00 -5.57 -0.38 0.00 -2.04 0.00 0.00 64.05 56.06 2iuu n THR 565 Cb 0.00 -2.36 0.06 0.00 -1.82 0.00 0.00 70.33 66.20 2iuu n THR 565 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2iuu n PRO 566 N 2.07 1.09 -2.22 -2.82 -0.04 -1.17 -4.49 135.00 127.42 2iuu n PRO 566 Ca 0.25 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 2iuu n PRO 566 Cb 0.37 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2iuu n PRO 566 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2iuu s LEU 567 N -3.24 3.43 0.06 1.53 1.43 -1.26 -4.97 118.68 115.66 2iuu s LEU 567 Ca 0.79 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 2iuu s LEU 567 Cb -0.40 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2iuu s LEU 567 CO 0.44 -0.72 -0.22 0.28 0.23 0.00 0.00 176.35 176.36 2iuu s THR 568 N -2.94 1.76 -0.39 5.49 -1.32 -1.26 -1.32 115.64 115.66 2iuu s THR 568 Ca 0.53 -1.34 -0.36 0.00 -1.21 0.00 0.00 61.69 59.31 2iuu s THR 568 Cb -0.11 -1.55 -0.12 0.00 -1.51 0.00 0.00 72.50 69.21 2iuu s THR 568 CO 0.48 0.15 2.21 -0.67 -2.21 0.00 0.00 174.62 174.57 2iuu n ASP 569 N 1.59 1.93 0.10 8.08 -0.08 -0.46 -4.77 116.55 122.93 2iuu n ASP 569 Ca -0.18 0.40 0.12 0.00 -1.51 0.00 0.00 54.79 53.62 2iuu n ASP 569 Cb 0.53 -1.22 0.46 0.00 2.34 0.00 0.00 41.12 43.23 2iuu n ASP 569 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2iuu n PRO 570 N 8.17 0.18 -0.55 -0.67 -0.04 -1.26 -2.62 135.00 138.22 2iuu n PRO 570 Ca 0.43 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 64.29 2iuu n PRO 570 Cb 0.20 -1.80 0.30 0.00 -0.04 0.00 0.00 33.50 32.16 2iuu n PRO 570 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2iuu n LEU 571 N -2.13 4.11 -4.73 1.53 4.77 -1.26 -4.94 117.00 114.35 2iuu n LEU 571 Ca 0.03 -2.08 -0.40 0.00 -0.03 0.00 0.00 56.01 53.53 2iuu n LEU 571 Cb 0.28 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 2iuu n LEU 571 CO 0.22 0.65 0.50 0.12 -1.33 0.00 0.00 177.39 177.55 2iuu s PHE 572 N -1.92 3.68 -0.25 -1.77 2.19 -1.08 -5.04 117.98 113.80 2iuu s PHE 572 Ca 0.42 1.48 -0.02 0.00 0.33 0.00 0.00 56.93 59.14 2iuu s PHE 572 Cb 0.28 -2.89 0.02 0.00 -1.31 0.00 0.00 43.02 39.12 2iuu s PHE 572 CO 0.18 0.17 -0.06 -0.98 1.83 0.00 0.00 175.22 176.36 2iuu s ARG 573 N 0.38 2.88 0.20 10.12 1.70 -1.26 -5.06 118.95 127.90 2iuu s ARG 573 Ca 0.41 -0.95 -0.31 0.00 -0.47 0.00 0.00 55.73 54.42 2iuu s ARG 573 Cb -0.20 -3.00 -0.10 0.00 -0.57 0.00 0.00 34.95 31.08 2iuu s ARG 573 CO 0.23 -0.39 1.49 1.03 -1.08 0.00 0.00 175.30 176.58 2iuu s ARG 574 N 1.34 4.25 -0.00 3.89 0.52 -1.26 -4.88 118.95 122.81 2iuu s ARG 574 Ca 0.01 2.30 0.02 0.00 -0.52 0.00 0.00 55.73 57.53 2iuu s ARG 574 Cb -0.16 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 2iuu s ARG 574 CO -0.04 -0.50 0.07 0.39 0.02 0.00 0.00 175.30 175.24 2iuu n GLU 575 N 3.24 5.93 -3.80 3.54 1.02 -1.26 -5.03 120.64 124.27 2iuu n GLU 575 Ca 0.10 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 2iuu n GLU 575 Cb 0.40 -0.62 -0.08 0.00 -0.02 0.00 0.00 31.44 31.12 2iuu n GLU 575 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2iuu s SER 576 N -1.25 -0.04 0.61 1.62 0.15 -1.26 -5.02 113.70 108.52 2iuu s SER 576 Ca 0.01 -0.31 0.39 0.00 0.70 0.00 0.00 55.95 56.74 2iuu s SER 576 Cb 0.01 0.33 1.96 0.00 -1.71 0.00 0.00 66.02 66.61 2iuu s SER 576 CO 0.07 -0.60 2.21 -0.65 1.20 0.00 0.00 173.24 175.47 2iuu h PRO 577 N 3.27 0.00 0.05 5.44 0.11 -2.04 -2.80 132.00 136.03 2iuu h PRO 577 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2iuu h PRO 577 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2iuu h PRO 577 CO 0.48 0.01 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.82 2iuu h ASP 578 N 0.00 -0.05 -0.62 -2.05 3.45 -2.02 -3.46 116.42 111.66 2iuu h ASP 578 Ca -0.00 -0.62 -0.49 0.00 0.43 0.00 0.00 57.03 56.35 2iuu h ASP 578 Cb 0.21 0.01 0.03 0.00 -0.56 0.00 0.00 39.33 39.03 2iuu h ASP 578 CO 0.00 0.66 0.06 0.47 -1.57 0.00 0.00 179.24 178.85 2iuu n ASP 579 N -4.77 0.03 -4.19 6.45 10.43 -1.06 -4.95 116.55 118.50 2iuu n ASP 579 Ca -0.08 0.72 -0.28 0.00 2.57 0.00 0.00 54.79 57.71 2iuu n ASP 579 Cb 0.33 -0.57 -0.16 0.00 1.84 0.00 0.00 41.12 42.56 2iuu n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2iuu s GLU 580 N 0.09 2.09 -0.15 -1.24 2.02 -1.26 -4.92 118.70 115.32 2iuu s GLU 580 Ca 0.57 -0.73 -0.34 0.00 0.02 0.00 0.00 54.97 54.50 2iuu s GLU 580 Cb -0.79 -1.79 -0.11 0.00 0.10 0.00 0.00 34.13 31.54 2iuu s GLU 580 CO 0.36 0.30 1.98 -2.30 0.02 0.00 0.00 175.26 175.62 2iuu n PRO 581 N 3.07 1.95 -1.38 0.39 -0.02 -1.26 -4.93 135.00 132.82 2iuu n PRO 581 Ca -0.18 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 2iuu n PRO 581 Cb 0.53 -2.69 0.10 0.00 -0.02 0.00 0.00 33.50 31.41 2iuu n PRO 581 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2iuu s PRO 582 N 4.77 2.06 0.26 0.52 0.04 -1.26 -4.74 135.00 136.66 2iuu s PRO 582 Ca 0.97 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.53 2iuu s PRO 582 Cb -0.68 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2iuu s PRO 582 CO 0.49 -1.89 0.83 -1.14 0.04 0.00 0.00 177.00 175.33 2iuu s GLN 583 N -3.96 4.43 0.27 4.56 0.74 -1.26 -1.36 119.66 123.08 2iuu s GLN 583 Ca 0.74 1.10 -0.29 0.00 0.05 0.00 0.00 55.36 56.97 2iuu s GLN 583 Cb -0.29 -2.87 -0.09 0.00 1.10 0.00 0.00 33.01 30.86 2iuu s GLN 583 CO 0.46 0.35 0.97 -0.51 -0.55 0.00 0.00 175.29 176.01 2iuu s LEU 584 N -1.95 4.54 0.14 3.68 1.43 -0.44 -4.75 118.68 121.34 2iuu s LEU 584 Ca 0.46 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 2iuu s LEU 584 Cb -0.18 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2iuu s LEU 584 CO 0.23 0.04 -0.14 -0.94 0.23 0.00 0.00 176.35 175.77 2iuu s SER 585 N -1.26 2.11 0.39 2.29 1.04 -1.26 -4.75 113.70 112.25 2iuu s SER 585 Ca 0.44 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 55.72 2iuu s SER 585 Cb -0.25 -0.08 -0.11 0.00 0.10 0.00 0.00 66.02 65.69 2iuu s SER 585 CO 0.31 -0.17 1.39 0.35 0.98 0.00 0.00 173.24 176.10 2iuu n THR 586 N 0.23 2.21 -3.65 2.02 -2.24 -1.26 -4.99 114.28 106.60 2iuu n THR 586 Ca -0.13 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.78 2iuu n THR 586 Cb 0.58 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 2iuu n THR 586 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2iuu s LEU 587 N -1.81 4.42 0.57 3.22 1.43 -1.26 -5.02 118.68 120.24 2iuu s LEU 587 Ca 0.56 0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 54.32 2iuu s LEU 587 Cb -0.50 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2iuu s LEU 587 CO 0.62 0.32 0.95 -2.16 0.23 0.00 0.00 176.35 176.31 2iuu s PRO 588 N -1.26 3.60 -0.06 1.29 0.04 -1.26 -4.89 135.00 132.46 2iuu s PRO 588 Ca 0.23 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.57 2iuu s PRO 588 Cb -0.15 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2iuu s PRO 588 CO 0.12 -0.44 0.98 0.99 0.04 0.00 0.00 177.00 178.69 2iuu s THR 589 N -3.01 4.83 -0.11 1.26 2.01 -0.53 -4.81 115.64 115.28 2iuu s THR 589 Ca 0.53 2.01 -0.13 0.00 0.31 0.00 0.00 61.69 64.42 2iuu s THR 589 Cb -0.11 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2iuu s THR 589 CO 0.50 0.08 0.30 -0.63 -0.69 0.00 0.00 174.62 174.17 2iuu s ILE 590 N 1.58 5.27 -0.09 1.82 -1.09 0.46 -0.40 121.20 128.75 2iuu s ILE 590 Ca 0.49 0.56 0.02 0.00 -2.23 0.00 0.00 60.65 59.50 2iuu s ILE 590 Cb -0.19 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2iuu s ILE 590 CO 0.22 0.48 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.57 2iuu s VAL 591 N -0.23 1.46 -0.24 2.92 1.01 -0.01 -0.40 120.40 124.91 2iuu s VAL 591 Ca 0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2iuu s VAL 591 Cb -0.14 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2iuu s VAL 591 CO 0.06 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2iuu s VAL 592 N 0.81 3.22 -0.13 2.92 1.01 0.37 -0.86 120.40 127.74 2iuu s VAL 592 Ca -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2iuu s VAL 592 Cb -0.16 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2iuu s VAL 592 CO 0.01 0.28 -0.15 0.68 0.00 0.00 0.00 175.10 175.92 2iuu s VAL 593 N 1.41 2.80 -0.31 2.92 -7.23 -0.33 -0.12 120.40 119.54 2iuu s VAL 593 Ca 0.03 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2iuu s VAL 593 Cb -0.16 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.68 2iuu s VAL 593 CO -0.03 0.53 0.02 -0.69 -0.31 0.00 0.00 175.10 174.61 2iuu s VAL 594 N 0.44 2.98 0.19 1.32 1.01 0.24 -1.23 120.40 125.35 2iuu s VAL 594 Ca -0.11 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.26 2iuu s VAL 594 Cb -0.16 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 33.58 2iuu s VAL 594 CO 0.05 -0.18 1.71 -0.78 0.00 0.00 0.00 175.10 175.90 2iuu h ASP 595 N 7.99 -0.04 -2.20 3.32 -0.00 -1.52 -1.86 116.42 122.10 2iuu h ASP 595 Ca -0.20 0.10 -0.58 0.00 -0.00 0.00 0.00 57.03 56.36 2iuu h ASP 595 Cb 1.06 0.15 -0.39 0.00 -0.00 0.00 0.00 39.33 40.15 2iuu h ASP 595 CO 0.55 0.00 -1.03 1.21 -0.00 0.00 0.00 179.24 179.97 2iuu n GLU 596 N -5.14 0.46 0.21 0.28 4.07 -1.21 -4.04 120.64 115.27 2iuu n GLU 596 Ca 0.06 -3.22 0.13 0.00 -0.06 0.00 0.00 57.16 54.08 2iuu n GLU 596 Cb 0.27 -1.47 0.71 0.00 -0.06 0.00 0.00 31.44 30.88 2iuu n GLU 596 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2iuu h PHE 597 N 4.88 0.00 -0.17 4.31 -5.15 -1.41 0.74 116.94 120.15 2iuu h PHE 597 Ca 0.18 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.81 2iuu h PHE 597 Cb 0.89 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.05 2iuu h PHE 597 CO 0.32 0.00 -0.47 0.00 -2.00 0.00 0.00 178.31 176.16 2iuu h ALA 598 N 1.85 0.88 -0.45 12.09 0.00 -1.94 -1.15 119.26 130.55 2iuu h ALA 598 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2iuu h ALA 598 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2iuu h ALA 598 CO 0.00 0.65 -0.21 -0.44 0.00 0.00 0.00 179.25 179.26 2iuu h ASP 599 N 0.35 0.96 -0.79 0.00 3.32 -1.24 -0.98 116.42 118.04 2iuu h ASP 599 Ca 0.02 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 2iuu h ASP 599 Cb 0.95 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2iuu h ASP 599 CO 0.08 1.15 0.33 -0.03 -1.72 0.00 0.00 179.24 179.05 2iuu h MET 600 N 0.78 1.17 -0.40 3.56 4.05 -1.43 -0.18 114.93 122.48 2iuu h MET 600 Ca 0.10 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 2iuu h MET 600 Cb 0.78 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 2iuu h MET 600 CO 0.06 0.94 0.09 0.52 0.23 0.00 0.00 176.91 178.75 2iuu h MET 601 N 1.14 0.66 -0.44 0.39 2.86 -1.08 -0.72 114.93 117.73 2iuu h MET 601 Ca 0.26 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2iuu h MET 601 Cb 0.20 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2iuu h MET 601 CO -0.02 0.69 0.23 1.98 1.06 0.00 0.00 176.91 180.84 2iuu h MET 602 N 0.51 0.63 -0.04 1.72 -1.53 -0.69 0.10 114.93 115.63 2iuu h MET 602 Ca 0.13 -0.08 -0.25 0.00 -3.44 0.00 0.00 59.70 56.05 2iuu h MET 602 Cb 0.33 -0.12 0.02 0.00 -0.55 0.00 0.00 31.60 31.28 2iuu h MET 602 CO 0.00 0.52 -0.93 0.82 0.14 0.00 0.00 176.91 177.46 2iuu h ILE 603 N 0.58 1.29 0.06 1.77 2.04 -1.00 -3.39 117.51 118.86 2iuu h ILE 603 Ca 0.15 -2.15 -0.33 0.00 1.00 0.00 0.00 64.86 63.53 2iuu h ILE 603 Cb 0.09 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2iuu h ILE 603 CO -0.02 0.67 -1.87 0.52 0.00 0.00 0.00 178.15 177.45 2iuu n VAL 604 N -3.91 1.66 0.00 1.67 0.31 -0.28 -5.04 118.33 112.73 2iuu n VAL 604 Ca -0.10 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2iuu n VAL 604 Cb 0.83 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2iuu n VAL 604 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iuu n GLY 605 N 1.79 0.02 0.49 2.92 0.00 0.35 -4.75 105.19 106.00 2iuu n GLY 605 Ca -0.35 -2.28 0.31 0.00 0.00 0.00 0.00 46.02 43.69 2iuu n GLY 605 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2iuu h LYS 606 N 8.03 0.00 0.00 1.61 2.10 -1.97 -1.58 116.57 124.76 2iuu h LYS 606 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2iuu h LYS 606 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2iuu h LYS 606 CO 0.00 0.00 -0.13 0.87 -2.00 0.00 0.00 179.45 178.19 2iuu h LYS 607 N 0.00 0.00 0.27 0.07 1.57 -1.95 -2.30 116.57 114.23 2iuu h LYS 607 Ca 0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 2iuu h LYS 607 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2iuu h LYS 607 CO -0.00 0.13 -0.13 0.28 -0.57 0.00 0.00 179.45 179.15 2iuu h VAL 608 N 0.00 0.77 -0.86 0.50 2.07 -1.63 -1.25 116.25 115.86 2iuu h VAL 608 Ca -0.00 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2iuu h VAL 608 Cb 0.34 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2iuu h VAL 608 CO 0.02 0.10 0.51 -0.08 0.02 0.00 0.00 177.57 178.14 2iuu h GLU 609 N -0.62 0.85 -0.66 1.57 4.81 -1.65 -0.36 114.58 118.53 2iuu h GLU 609 Ca -0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2iuu h GLU 609 Cb 0.44 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2iuu h GLU 609 CO 0.06 0.56 0.19 0.93 -0.73 0.00 0.00 179.01 180.02 2iuu h GLU 610 N 0.87 1.03 -0.14 1.92 5.08 -1.29 -1.69 114.58 120.37 2iuu h GLU 610 Ca 0.40 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2iuu h GLU 610 Cb 0.32 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2iuu h GLU 610 CO -0.23 0.91 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.60 2iuu h LEU 611 N 0.96 0.27 -0.31 1.33 3.38 -0.66 -1.51 115.31 118.77 2iuu h LEU 611 Ca 0.21 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2iuu h LEU 611 Cb 0.32 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2iuu h LEU 611 CO -0.00 0.56 -0.13 0.40 0.09 0.00 0.00 178.44 179.36 2iuu h ILE 612 N -0.03 0.58 -0.85 1.22 1.08 -0.99 0.22 117.51 118.74 2iuu h ILE 612 Ca 0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 2iuu h ILE 612 Cb 0.44 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 2iuu h ILE 612 CO 0.01 0.00 0.53 0.00 -0.69 0.00 0.00 178.15 178.00 2iuu h ALA 613 N 1.18 1.16 -0.52 1.87 0.00 -1.20 0.10 119.26 121.85 2iuu h ALA 613 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2iuu h ALA 613 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2iuu h ALA 613 CO -0.36 0.28 0.08 -0.09 0.00 0.00 0.00 179.25 179.17 2iuu h ARG 614 N 0.97 0.87 0.33 0.00 2.43 -0.38 -1.50 114.38 117.10 2iuu h ARG 614 Ca 0.37 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2iuu h ARG 614 Cb 0.15 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2iuu h ARG 614 CO -0.16 0.86 -0.16 0.82 -1.51 0.00 0.00 179.97 179.81 2iuu h ILE 615 N 0.75 0.66 0.00 1.20 1.08 -0.39 -3.20 117.51 117.62 2iuu h ILE 615 Ca 0.16 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2iuu h ILE 615 Cb 0.41 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2iuu h ILE 615 CO 0.01 0.10 -0.02 0.00 -0.69 0.00 0.00 178.15 177.55 2iuu h ALA 616 N -0.21 1.27 0.00 1.87 0.00 -0.80 0.22 119.26 121.60 2iuu h ALA 616 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2iuu h ALA 616 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2iuu h ALA 616 CO 0.07 0.02 -0.42 0.37 0.00 0.00 0.00 179.25 179.30 2iuu h GLN 617 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -3.42 115.11 110.43 2iuu h GLN 617 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2iuu h GLN 617 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.54 2iuu h GLN 617 CO 0.00 0.17 -0.11 1.17 0.00 0.00 0.00 178.83 180.06 2iuu n LYS 618 N -3.05 4.02 0.09 1.69 4.81 -1.01 -4.92 118.16 119.78 2iuu n LYS 618 Ca 0.02 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.57 2iuu n LYS 618 Cb 0.62 -0.44 0.60 0.00 0.02 0.00 0.00 35.03 35.82 2iuu n LYS 618 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2iuu h ALA 619 N 0.00 2.10 -0.84 3.14 0.00 -0.82 -3.38 119.26 119.47 2iuu h ALA 619 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2iuu h ALA 619 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2iuu h ALA 619 CO 0.00 -0.17 0.00 -2.13 0.00 0.00 0.00 179.25 176.95 2iuu n ARG 620 N -4.47 0.00 -0.01 0.00 0.63 -1.25 -1.18 116.66 110.37 2iuu n ARG 620 Ca 0.04 0.81 0.23 0.00 -0.92 0.00 0.00 57.85 58.01 2iuu n ARG 620 Cb 0.28 -1.29 0.69 0.00 0.45 0.00 0.00 32.46 32.60 2iuu n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2iuu h ALA 621 N -1.23 2.38 -0.00 5.13 0.00 -1.90 0.43 119.26 124.06 2iuu h ALA 621 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2iuu h ALA 621 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2iuu h ALA 621 CO 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 179.25 178.21 2iuu n ALA 622 N -2.37 2.75 -0.94 0.00 0.00 -0.33 -1.43 120.51 118.19 2iuu n ALA 622 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2iuu n ALA 622 Cb 0.84 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2iuu n ALA 622 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 623 N 1.30 0.46 3.47 0.00 0.00 0.15 -4.68 105.19 105.89 2iuu n GLY 623 Ca 0.14 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2iuu n GLY 623 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iuu s ILE 624 N -2.00 3.72 0.03 -0.61 1.09 -1.15 -0.40 121.20 121.88 2iuu s ILE 624 Ca 0.00 -0.42 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 2iuu s ILE 624 Cb 0.00 -2.62 -0.02 0.00 -1.06 0.00 0.00 42.46 38.76 2iuu s ILE 624 CO 0.00 0.50 -0.13 -1.00 -0.10 0.00 0.00 174.94 174.21 2iuu s HIS 625 N 0.34 1.14 -0.13 3.97 3.76 0.47 -3.97 115.29 120.86 2iuu s HIS 625 Ca -0.05 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2iuu s HIS 625 Cb -0.14 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 2iuu s HIS 625 CO 0.04 0.02 0.07 -0.51 -0.85 0.00 0.00 174.74 173.50 2iuu s LEU 626 N -1.07 3.91 -0.26 0.89 1.02 -1.26 -0.48 118.68 121.43 2iuu s LEU 626 Ca 0.01 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.38 2iuu s LEU 626 Cb -0.08 -1.95 0.07 0.00 0.02 0.00 0.00 46.19 44.26 2iuu s LEU 626 CO 0.01 0.31 -0.01 -0.63 0.02 0.00 0.00 176.35 176.05 2iuu s ILE 627 N -0.43 1.49 -0.18 -0.59 -1.09 0.83 -0.19 121.20 121.05 2iuu s ILE 627 Ca 0.10 -1.40 -0.01 0.00 -2.23 0.00 0.00 60.65 57.11 2iuu s ILE 627 Cb -0.12 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 2iuu s ILE 627 CO 0.02 -0.29 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.55 2iuu s LEU 628 N 1.38 2.54 0.15 2.97 1.43 0.25 -0.59 118.68 126.81 2iuu s LEU 628 Ca -0.00 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2iuu s LEU 628 Cb -0.19 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2iuu s LEU 628 CO -0.10 0.04 -0.21 0.00 0.23 0.00 0.00 176.35 176.32 2iuu s ALA 629 N 1.07 2.09 0.08 4.21 0.00 -0.70 0.30 121.76 128.82 2iuu s ALA 629 Ca -0.00 -1.46 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 2iuu s ALA 629 Cb -0.15 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.80 2iuu s ALA 629 CO -0.03 0.33 0.64 -0.08 0.00 0.00 0.00 175.76 176.62 2iuu s THR 630 N -1.67 0.00 -1.53 0.00 -1.32 -0.22 -1.55 115.64 109.35 2iuu s THR 630 Ca 0.14 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.76 2iuu s THR 630 Cb -0.08 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.97 2iuu s THR 630 CO 0.07 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.34 2iuu n GLN 631 N 0.07 1.36 -3.17 7.08 6.02 -1.26 -2.06 117.38 125.43 2iuu n GLN 631 Ca -0.17 -1.07 -0.32 0.00 -0.01 0.00 0.00 57.00 55.43 2iuu n GLN 631 Cb 0.62 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 30.60 2iuu n GLN 631 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2iuu n ARG 632 N 0.36 3.39 -2.08 -1.09 1.74 -1.26 -4.36 116.66 113.36 2iuu n ARG 632 Ca 0.07 -4.68 -0.32 0.00 -0.77 0.00 0.00 57.85 52.14 2iuu n ARG 632 Cb 0.32 -2.33 -0.05 0.00 -1.02 0.00 0.00 32.46 29.38 2iuu n ARG 632 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2iuu n PRO 633 N 0.68 1.91 -4.44 5.56 -0.02 -1.26 -4.66 135.00 132.76 2iuu n PRO 633 Ca 0.31 -2.58 -0.26 0.00 -2.02 0.00 0.00 63.50 58.95 2iuu n PRO 633 Cb 0.37 -3.62 -0.10 0.00 -0.02 0.00 0.00 33.50 30.14 2iuu n PRO 633 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iuu s SER 634 N 5.89 4.06 0.52 2.55 1.04 -1.26 -4.61 113.70 121.89 2iuu s SER 634 Ca 0.65 -1.23 0.26 0.00 0.48 0.00 0.00 55.95 56.11 2iuu s SER 634 Cb 0.02 -0.43 1.41 0.00 0.10 0.00 0.00 66.02 67.11 2iuu s SER 634 CO 0.12 -0.44 2.06 0.58 0.98 0.00 0.00 173.24 176.54 2iuu h VAL 635 N 1.69 0.61 0.00 5.02 2.07 -1.90 -0.51 116.25 123.22 2iuu h VAL 635 Ca -0.43 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 2iuu h VAL 635 Cb 1.25 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2iuu h VAL 635 CO 0.75 0.12 -0.61 0.44 0.02 0.00 0.00 177.57 178.30 2iuu h ASP 636 N 0.00 0.00 0.00 0.57 3.45 -1.95 -3.35 116.42 115.15 2iuu h ASP 636 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2iuu h ASP 636 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 2iuu h ASP 636 CO 0.02 0.61 -0.46 0.52 -1.57 0.00 0.00 179.24 178.35 2iuu n VAL 637 N -3.46 0.96 -2.61 -1.35 0.31 -0.70 -4.59 118.33 106.88 2iuu n VAL 637 Ca 0.00 0.29 -0.43 0.00 -0.01 0.00 0.00 64.34 64.19 2iuu n VAL 637 Cb 0.69 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2iuu n VAL 637 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2iuu n ILE 638 N -3.81 4.03 -2.01 2.52 5.41 -0.28 -4.90 119.36 120.32 2iuu n ILE 638 Ca -0.06 -4.23 -0.29 0.00 1.00 0.00 0.00 62.75 59.17 2iuu n ILE 638 Cb 0.24 -2.41 0.15 0.00 -0.71 0.00 0.00 39.64 36.91 2iuu n ILE 638 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2iuu s THR 639 N 3.08 2.03 0.15 1.39 -4.23 -1.26 -4.68 115.64 112.13 2iuu s THR 639 Ca 0.49 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.79 2iuu s THR 639 Cb 0.03 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.95 2iuu s THR 639 CO 0.04 0.00 1.70 1.23 -0.54 0.00 0.00 174.62 177.05 2iuu h GLY 640 N -1.35 0.81 0.80 3.99 0.00 -1.92 0.21 103.07 105.61 2iuu h GLY 640 Ca -0.44 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.45 2iuu h GLY 640 CO 0.45 0.42 -0.13 1.41 0.00 0.00 0.00 176.54 178.69 2iuu h LEU 641 N 0.68 -0.36 -0.15 3.11 3.38 -1.95 0.38 115.31 120.41 2iuu h LEU 641 Ca 0.17 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2iuu h LEU 641 Cb 0.21 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2iuu h LEU 641 CO -0.01 -0.20 0.01 0.40 0.09 0.00 0.00 178.44 178.73 2iuu h ILE 642 N -0.27 0.91 -0.29 1.22 1.08 -1.77 -2.99 117.51 115.40 2iuu h ILE 642 Ca 0.01 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.37 2iuu h ILE 642 Cb 0.28 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2iuu h ILE 642 CO -0.06 0.01 -0.19 0.11 -0.69 0.00 0.00 178.15 177.33 2iuu h LYS 643 N 0.07 0.53 -0.33 2.37 1.57 -0.34 -3.37 116.57 117.06 2iuu h LYS 643 Ca 0.07 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2iuu h LYS 643 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2iuu h LYS 643 CO -0.10 0.70 -0.19 0.00 -0.57 0.00 0.00 179.45 179.28 2iuu n ALA 644 N -2.48 -0.21 -1.53 3.86 0.00 0.13 -1.70 120.51 118.58 2iuu n ALA 644 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.78 2iuu n ALA 644 Cb 0.37 -0.04 0.20 0.00 0.00 0.00 0.00 19.45 19.98 2iuu n ALA 644 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2iuu n ASN 645 N -4.40 1.80 -3.62 0.00 4.13 -1.26 -4.79 115.26 107.13 2iuu n ASN 645 Ca 0.01 -3.80 -0.27 0.00 1.68 0.00 0.00 54.58 52.20 2iuu n ASN 645 Cb 0.09 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.71 2iuu n ASN 645 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2iuu n ILE 646 N -1.16 1.74 0.26 2.41 5.41 -0.69 -4.75 119.36 122.58 2iuu n ILE 646 Ca 0.19 -4.93 0.13 0.00 1.00 0.00 0.00 62.75 59.14 2iuu n ILE 646 Cb 0.69 -2.11 0.68 0.00 -0.71 0.00 0.00 39.64 38.18 2iuu n ILE 646 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2iuu h PRO 647 N 4.76 0.00 -5.97 0.38 0.13 -1.82 -3.44 132.00 126.04 2iuu h PRO 647 Ca 0.17 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.74 2iuu h PRO 647 Cb 0.72 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 2iuu h PRO 647 CO 0.75 0.13 0.14 0.99 -0.23 0.00 0.00 178.00 179.77 2iuu s THR 648 N -3.96 5.02 0.01 1.56 2.01 -1.26 -4.26 115.64 114.76 2iuu s THR 648 Ca -0.01 1.43 0.04 0.00 0.31 0.00 0.00 61.69 63.46 2iuu s THR 648 Cb 0.12 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2iuu s THR 648 CO 0.58 0.20 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.45 2iuu s ARG 649 N 1.17 0.96 -0.07 4.92 1.81 -0.47 -2.62 118.95 124.64 2iuu s ARG 649 Ca 0.36 -0.57 0.03 0.00 -1.72 0.00 0.00 55.73 53.83 2iuu s ARG 649 Cb -0.17 -0.94 0.01 0.00 -0.45 0.00 0.00 34.95 33.40 2iuu s ARG 649 CO 0.16 0.25 -0.15 0.42 -0.68 0.00 0.00 175.30 175.29 2iuu s ILE 650 N -0.54 1.38 -0.09 1.52 1.09 -0.20 0.82 121.20 125.19 2iuu s ILE 650 Ca 0.03 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 2iuu s ILE 650 Cb -0.06 -1.24 0.02 0.00 -1.06 0.00 0.00 42.46 40.12 2iuu s ILE 650 CO 0.00 0.41 -0.08 0.00 -0.10 0.00 0.00 174.94 175.18 2iuu s ALA 651 N 0.57 1.18 0.50 9.38 0.00 -0.23 -2.04 121.76 131.13 2iuu s ALA 651 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2iuu s ALA 651 Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2iuu s ALA 651 CO 0.05 -0.25 0.00 1.19 0.00 0.00 0.00 175.76 176.75 2iuu n PHE 652 N 4.59 -2.55 -2.07 0.00 3.72 0.44 -0.30 117.46 121.28 2iuu n PHE 652 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 2iuu n PHE 652 Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 2iuu n PHE 652 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2iuu s GLN 653 N -1.41 4.30 0.30 -1.08 0.74 -1.25 -4.71 119.66 116.55 2iuu s GLN 653 Ca 0.00 2.22 0.11 0.00 0.05 0.00 0.00 55.36 57.73 2iuu s GLN 653 Cb 0.00 -3.15 -0.06 0.00 1.10 0.00 0.00 33.01 30.90 2iuu s GLN 653 CO 0.00 -0.40 -0.15 0.14 -0.55 0.00 0.00 175.29 174.32 2iuu s VAL 654 N 0.32 2.33 0.41 1.34 -7.23 -1.03 -1.53 120.40 115.00 2iuu s VAL 654 Ca 0.61 -2.32 0.12 0.00 -1.81 0.00 0.00 61.98 58.58 2iuu s VAL 654 Cb -0.40 -2.42 0.15 0.00 0.56 0.00 0.00 36.38 34.28 2iuu s VAL 654 CO 0.39 -0.33 1.93 0.28 -0.31 0.00 0.00 175.10 177.05 2iuu h SER 655 N 2.19 0.09 -5.14 4.85 0.02 -1.93 -3.38 113.55 110.26 2iuu h SER 655 Ca -0.41 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2iuu h SER 655 Cb 1.25 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 2iuu h SER 655 CO 0.64 0.30 0.04 -0.94 -1.14 0.00 0.00 176.83 175.73 2iuu s SER 656 N -6.94 -0.15 0.32 3.07 1.04 -1.26 -4.99 113.70 104.79 2iuu s SER 656 Ca -0.04 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.60 2iuu s SER 656 Cb 0.15 0.65 0.58 0.00 0.10 0.00 0.00 66.02 67.51 2iuu s SER 656 CO 0.72 -1.24 1.95 0.11 0.98 0.00 0.00 173.24 175.76 2iuu h LYS 657 N 2.14 0.92 0.18 4.02 1.57 -1.96 -0.11 116.57 123.33 2iuu h LYS 657 Ca -0.23 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2iuu h LYS 657 Cb 1.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2iuu h LYS 657 CO 0.30 0.61 -0.19 0.82 -0.57 0.00 0.00 179.45 180.43 2iuu h ILE 658 N 0.95 0.59 -0.69 1.86 5.03 -1.96 0.19 117.51 123.48 2iuu h ILE 658 Ca 0.33 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 65.13 2iuu h ILE 658 Cb 0.11 0.59 -0.06 0.00 -3.03 0.00 0.00 36.82 34.43 2iuu h ILE 658 CO -0.10 0.00 0.39 0.44 -0.68 0.00 0.00 178.15 178.19 2iuu h ASP 659 N -0.40 0.57 -0.32 1.72 3.45 -1.58 -1.50 116.42 118.36 2iuu h ASP 659 Ca 0.00 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.55 2iuu h ASP 659 Cb 0.38 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.02 2iuu h ASP 659 CO -0.05 0.36 0.01 -1.28 -1.57 0.00 0.00 179.24 176.70 2iuu h SER 660 N 0.70 -0.11 -0.70 6.45 0.87 -0.50 -1.67 113.55 118.59 2iuu h SER 660 Ca 0.31 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2iuu h SER 660 Cb 0.21 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2iuu h SER 660 CO -0.19 -0.02 0.39 0.03 -0.53 0.00 0.00 176.83 176.51 2iuu h ARG 661 N 0.10 0.99 -0.93 2.24 3.08 -0.35 0.39 114.38 119.89 2iuu h ARG 661 Ca 0.15 -0.11 0.09 0.00 0.07 0.00 0.00 59.98 60.19 2iuu h ARG 661 Cb 0.20 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 2iuu h ARG 661 CO -0.25 0.72 0.60 1.15 -1.07 0.00 0.00 179.97 181.13 2iuu h THR 662 N 0.99 1.00 0.05 2.04 2.02 -0.33 0.77 112.91 119.45 2iuu h THR 662 Ca 0.25 -0.34 -0.38 0.00 0.77 0.00 0.00 66.41 66.72 2iuu h THR 662 Cb 0.02 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.32 2iuu h THR 662 CO -0.04 0.18 -2.24 0.00 0.37 0.00 0.00 175.52 173.79 2iuu n ILE 663 N -4.53 1.62 0.88 3.11 0.00 -0.91 -4.58 119.36 114.94 2iuu n ILE 663 Ca 0.16 -0.58 0.09 0.00 0.00 0.00 0.00 62.75 62.42 2iuu n ILE 663 Cb 0.28 -1.60 -0.07 0.00 0.00 0.00 0.00 39.64 38.25 2iuu n ILE 663 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2iuu n LEU 664 N -3.45 1.26 -3.60 9.51 4.77 0.13 -4.88 117.00 120.75 2iuu n LEU 664 Ca -0.40 -0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 54.75 2iuu n LEU 664 Cb 1.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.16 2iuu n LEU 664 CO 0.32 0.27 0.19 0.47 -1.33 0.00 0.00 177.39 177.31 2iuu n ASP 665 N -0.91 -5.05 -3.65 -1.43 10.43 0.27 -4.93 116.55 111.28 2iuu n ASP 665 Ca 0.05 -0.59 -0.02 0.00 2.57 0.00 0.00 54.79 56.80 2iuu n ASP 665 Cb 0.34 -4.91 -0.06 0.00 1.84 0.00 0.00 41.12 38.33 2iuu n ASP 665 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 2iuu s GLN 666 N -6.12 0.04 0.76 -1.24 0.74 -1.25 -4.96 119.66 107.63 2iuu s GLN 666 Ca 0.44 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.77 2iuu s GLN 666 Cb -0.20 0.02 0.05 0.00 1.10 0.00 0.00 33.01 33.98 2iuu s GLN 666 CO 0.74 -0.01 1.09 0.20 -0.55 0.00 0.00 175.29 176.77 2iuu s GLY 667 N -0.27 1.63 0.00 2.59 0.00 -1.26 -3.04 107.32 106.97 2iuu s GLY 667 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.60 2iuu s GLY 667 CO -0.14 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.77 2iuu n GLY 668 N -2.30 3.95 0.26 0.20 0.00 -1.26 -4.96 105.19 101.08 2iuu n GLY 668 Ca 0.07 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.47 2iuu n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu h ALA 669 N 0.00 1.17 0.00 4.61 0.00 -1.89 0.31 119.26 123.46 2iuu h ALA 669 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2iuu h ALA 669 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 669 CO 0.00 -0.17 -0.16 1.05 0.00 0.00 0.00 179.25 179.97 2iuu h GLU 670 N 0.00 0.00 -0.00 0.00 9.09 -1.81 -2.71 114.58 119.15 2iuu h GLU 670 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2iuu h GLU 670 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 2iuu h GLU 670 CO 0.00 0.16 -0.08 1.04 0.05 0.00 0.00 179.01 180.18 2iuu n GLN 671 N -3.19 0.76 -1.64 1.06 1.13 0.11 -4.79 117.38 110.82 2iuu n GLN 671 Ca 0.02 -0.22 -0.33 0.00 -1.94 0.00 0.00 57.00 54.52 2iuu n GLN 671 Cb 0.51 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.43 2iuu n GLN 671 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2iuu s LEU 672 N -2.40 3.36 0.00 1.08 1.43 -1.16 -4.82 118.68 116.17 2iuu s LEU 672 Ca 0.32 2.11 0.25 0.00 -1.03 0.00 0.00 54.13 55.77 2iuu s LEU 672 Cb 0.20 -4.56 1.02 0.00 0.03 0.00 0.00 46.19 42.88 2iuu s LEU 672 CO 0.45 -1.85 1.71 0.18 0.23 0.00 0.00 176.35 177.07 2iuu n LEU 673 N -2.54 1.31 0.00 1.79 4.77 -1.26 -4.88 117.00 116.19 2iuu n LEU 673 Ca 0.11 -0.49 0.01 0.00 -0.03 0.00 0.00 56.01 55.61 2iuu n LEU 673 Cb 0.51 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2iuu n LEU 673 CO 0.48 0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 177.38 2iuu n GLY 674 N 1.11 -2.16 3.94 -0.72 0.00 -1.26 -4.91 105.19 101.19 2iuu n GLY 674 Ca 0.18 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2iuu n GLY 674 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2iuu n HIS 675 N -0.73 -1.63 -0.52 1.61 8.25 -1.10 -2.05 115.22 119.05 2iuu n HIS 675 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 2iuu n HIS 675 Cb 0.02 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 27.71 2iuu n HIS 675 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iuu n GLY 676 N -2.00 1.33 3.71 -1.41 0.00 0.38 -4.77 105.19 102.44 2iuu n GLY 676 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2iuu n GLY 676 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iuu s ASP 677 N -3.17 6.83 0.16 1.61 3.68 -0.87 -0.14 116.67 124.78 2iuu s ASP 677 Ca 0.00 2.29 -0.05 0.00 2.13 0.00 0.00 52.55 56.93 2iuu s ASP 677 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.86 2iuu s ASP 677 CO 0.00 -0.66 0.18 0.00 0.13 0.00 0.00 175.17 174.83 2iuu s MET 678 N 1.27 1.11 -0.23 4.34 0.23 0.33 -3.77 119.30 122.58 2iuu s MET 678 Ca 0.64 -1.37 0.01 0.00 -1.03 0.00 0.00 55.69 53.94 2iuu s MET 678 Cb -0.36 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.28 2iuu s MET 678 CO 0.30 -0.37 -0.13 -0.51 -2.03 0.00 0.00 175.02 172.28 2iuu s LEU 679 N -3.04 2.85 -0.25 0.18 1.43 0.58 -0.60 118.68 119.84 2iuu s LEU 679 Ca 0.24 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2iuu s LEU 679 Cb 0.05 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 2iuu s LEU 679 CO 0.04 -0.09 0.22 -0.47 0.23 0.00 0.00 176.35 176.27 2iuu s TYR 680 N 1.25 3.28 -0.49 0.29 5.04 0.56 -1.06 117.35 126.22 2iuu s TYR 680 Ca -0.00 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2iuu s TYR 680 Cb -0.16 -2.37 0.13 0.00 0.35 0.00 0.00 41.96 39.91 2iuu s TYR 680 CO -0.08 -0.05 0.24 -1.17 -1.34 0.00 0.00 175.55 173.15 2iuu s LEU 681 N 1.44 4.61 0.94 6.97 2.96 0.24 -0.22 118.68 135.62 2iuu s LEU 681 Ca 0.09 -2.75 -0.12 0.00 -0.22 0.00 0.00 54.13 51.14 2iuu s LEU 681 Cb -0.15 -1.68 0.16 0.00 0.50 0.00 0.00 46.19 45.02 2iuu s LEU 681 CO 0.08 -0.30 1.10 -2.16 -1.32 0.00 0.00 176.35 173.75 2iuu s PRO 682 N 0.09 0.87 0.72 0.98 0.04 -1.26 -1.37 135.00 135.07 2iuu s PRO 682 Ca 0.15 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.58 2iuu s PRO 682 Cb -0.23 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2iuu s PRO 682 CO -0.03 -2.44 1.20 -0.35 0.04 0.00 0.00 177.00 175.43 2iuu n PRO 683 N -3.97 0.65 0.00 0.56 -0.04 -1.26 -4.85 135.00 126.08 2iuu n PRO 683 Ca 0.06 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2iuu n PRO 683 Cb 0.57 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2iuu n PRO 683 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iuu n GLY 684 N 0.82 -2.84 3.37 0.55 0.00 -1.26 -4.93 105.19 100.90 2iuu n GLY 684 Ca 0.15 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2iuu n GLY 684 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuu s THR 685 N -0.78 1.37 0.00 2.61 2.01 -1.26 -4.95 115.64 114.64 2iuu s THR 685 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2iuu s THR 685 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2iuu s THR 685 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2iuu n GLY 686 N 0.90 3.08 3.76 4.40 0.00 -1.26 -5.03 105.19 111.04 2iuu n GLY 686 Ca 0.11 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2iuu n GLY 686 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuu s LEU 687 N 0.00 4.50 0.71 0.99 1.43 -1.26 -4.96 118.68 120.09 2iuu s LEU 687 Ca 0.00 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 2iuu s LEU 687 Cb 0.00 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2iuu s LEU 687 CO 0.00 -0.31 0.90 -0.81 0.23 0.00 0.00 176.35 176.36 2iuu n PRO 688 N 1.07 0.50 -3.54 1.29 -0.04 -1.26 -4.95 135.00 128.06 2iuu n PRO 688 Ca -0.01 0.22 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 2iuu n PRO 688 Cb 0.43 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 2iuu n PRO 688 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iuu s ILE 689 N -1.81 5.28 0.11 0.52 -1.09 0.69 -4.87 121.20 120.03 2iuu s ILE 689 Ca 0.72 0.27 -0.31 0.00 -2.23 0.00 0.00 60.65 59.11 2iuu s ILE 689 Cb -0.35 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 36.89 2iuu s ILE 689 CO 0.51 0.24 1.23 -0.60 -1.23 0.00 0.00 174.94 175.09 2iuu s ARG 690 N 1.77 4.43 -0.03 2.79 3.52 -1.26 -0.32 118.95 129.84 2iuu s ARG 690 Ca 0.09 1.86 0.02 0.00 -0.13 0.00 0.00 55.73 57.57 2iuu s ARG 690 Cb -0.16 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 2iuu s ARG 690 CO 0.10 -0.24 -0.06 0.08 -0.81 0.00 0.00 175.30 174.37 2iuu s VAL 691 N 0.75 0.59 -0.58 7.11 1.01 0.23 -3.93 120.40 125.58 2iuu s VAL 691 Ca 0.58 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2iuu s VAL 691 Cb -0.32 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.60 2iuu s VAL 691 CO 0.32 0.21 0.66 -1.00 0.00 0.00 0.00 175.10 175.29 2iuu s HIS 692 N 0.47 3.04 0.40 5.22 0.09 0.95 -0.52 115.29 124.94 2iuu s HIS 692 Ca -0.06 -0.97 -0.25 0.00 -0.00 0.00 0.00 55.06 53.78 2iuu s HIS 692 Cb -0.10 -3.93 -0.11 0.00 -0.00 0.00 0.00 32.58 28.44 2iuu s HIS 692 CO 0.00 -1.23 1.07 0.41 -0.00 0.00 0.00 174.74 175.00 2iuu n GLY 693 N 5.27 -0.04 3.79 -2.22 0.00 0.80 -1.79 105.19 111.00 2iuu n GLY 693 Ca -0.10 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2iuu n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 694 N -1.22 2.92 -0.13 4.61 0.00 -1.02 -4.72 121.76 122.20 2iuu s ALA 694 Ca 0.62 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2iuu s ALA 694 Cb -0.57 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 2iuu s ALA 694 CO 0.58 -0.33 0.35 0.12 0.00 0.00 0.00 175.76 176.47 2iuu s PHE 695 N -1.87 3.51 -0.12 0.00 5.36 0.13 -4.78 117.98 120.21 2iuu s PHE 695 Ca 0.65 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 57.31 2iuu s PHE 695 Cb -0.19 -2.37 0.04 0.00 -0.34 0.00 0.00 43.02 40.16 2iuu s PHE 695 CO 0.23 0.29 0.01 0.54 -1.46 0.00 0.00 175.22 174.82 2iuu s VAL 696 N 0.26 0.49 0.72 3.12 0.11 -1.26 -2.16 120.40 121.68 2iuu s VAL 696 Ca 0.20 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 2iuu s VAL 696 Cb -0.14 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2iuu s VAL 696 CO 0.07 0.10 1.07 -0.94 -3.33 0.00 0.00 175.10 172.06 2iuu s SER 697 N 1.91 5.11 0.59 3.54 1.04 -1.26 -4.91 113.70 119.71 2iuu s SER 697 Ca 0.03 1.69 0.35 0.00 0.48 0.00 0.00 55.95 58.50 2iuu s SER 697 Cb -0.14 -2.50 1.81 0.00 0.10 0.00 0.00 66.02 65.29 2iuu s SER 697 CO -0.07 -1.63 2.17 0.44 0.98 0.00 0.00 173.24 175.14 2iuu h ASP 698 N -0.83 0.00 0.09 7.02 3.45 -2.00 -1.82 116.42 122.33 2iuu h ASP 698 Ca -0.44 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.02 2iuu h ASP 698 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 2iuu h ASP 698 CO 0.55 0.04 -0.04 0.44 -1.57 0.00 0.00 179.24 178.66 2iuu h ASP 699 N 0.00 -0.10 -0.95 6.45 3.45 -1.98 0.98 116.42 124.27 2iuu h ASP 699 Ca -0.00 -0.49 0.17 0.00 0.43 0.00 0.00 57.03 57.14 2iuu h ASP 699 Cb 0.24 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 38.93 2iuu h ASP 699 CO 0.01 0.53 0.54 -0.33 -1.57 0.00 0.00 179.24 178.42 2iuu h GLU 700 N -0.84 0.69 0.28 3.56 5.08 -1.74 0.53 114.58 122.14 2iuu h GLU 700 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2iuu h GLU 700 Cb 0.59 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2iuu h GLU 700 CO 0.02 0.46 -0.14 0.28 -1.00 0.00 0.00 179.01 178.63 2iuu h VAL 701 N 0.71 0.67 -1.02 3.13 2.07 -1.35 -1.88 116.25 118.58 2iuu h VAL 701 Ca 0.54 -0.76 0.25 0.00 0.82 0.00 0.00 66.70 67.54 2iuu h VAL 701 Cb 0.80 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.50 2iuu h VAL 701 CO -0.38 0.14 0.64 -0.74 0.02 0.00 0.00 177.57 177.25 2iuu h HIS 702 N -0.84 0.77 0.55 1.57 -0.00 0.05 -0.09 115.15 117.16 2iuu h HIS 702 Ca -0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 2iuu h HIS 702 Cb 0.51 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 27.71 2iuu h HIS 702 CO 0.04 0.09 -0.26 -0.09 -0.00 0.00 0.00 177.93 177.71 2iuu h ARG 703 N 0.48 -0.71 -0.18 5.26 2.43 0.13 -2.40 114.38 119.39 2iuu h ARG 703 Ca 0.59 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.84 2iuu h ARG 703 Cb 1.35 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 2iuu h ARG 703 CO -0.33 -0.40 0.13 0.28 -1.51 0.00 0.00 179.97 178.14 2iuu h VAL 704 N -0.98 0.96 0.60 0.20 2.07 -0.41 -1.33 116.25 117.36 2iuu h VAL 704 Ca -0.07 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2iuu h VAL 704 Cb 0.63 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2iuu h VAL 704 CO 0.12 0.02 -0.29 0.58 0.02 0.00 0.00 177.57 178.02 2iuu h VAL 705 N 0.10 0.23 -1.00 2.57 2.07 -0.99 -2.30 116.25 116.93 2iuu h VAL 705 Ca 0.08 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.42 2iuu h VAL 705 Cb 0.20 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2iuu h VAL 705 CO -0.01 0.03 0.62 -0.33 0.02 0.00 0.00 177.57 177.90 2iuu h GLU 706 N -1.08 0.80 -1.01 1.57 4.39 -0.99 0.21 114.58 118.47 2iuu h GLU 706 Ca -0.08 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.61 2iuu h GLU 706 Cb 0.67 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2iuu h GLU 706 CO 0.13 0.53 0.66 0.00 -1.16 0.00 0.00 179.01 179.17 2iuu h ALA 707 N 1.62 1.34 0.13 3.43 0.00 -1.16 -1.48 119.26 123.14 2iuu h ALA 707 Ca 0.55 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 55.14 2iuu h ALA 707 Cb 0.79 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2iuu h ALA 707 CO -0.34 0.56 -1.23 -1.49 0.00 0.00 0.00 179.25 176.74 2iuu h TRP 708 N 1.27 0.66 0.00 0.00 4.06 -0.26 -2.98 115.95 118.70 2iuu h TRP 708 Ca 0.40 -0.45 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2iuu h TRP 708 Cb 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2iuu h TRP 708 CO -0.00 1.33 -0.05 0.87 -3.56 0.00 0.00 178.44 177.03 2iuu h LYS 709 N 0.14 0.00 -0.07 0.49 1.57 -0.30 -1.45 116.57 116.95 2iuu h LYS 709 Ca -0.15 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2iuu h LYS 709 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 2iuu h LYS 709 CO 0.21 0.05 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.85 2iuu h LEU 710 N 0.00 0.32 0.00 2.94 3.38 -1.29 -3.15 115.31 117.51 2iuu h LEU 710 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2iuu h LEU 710 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2iuu h LEU 710 CO 0.01 0.88 0.00 0.54 0.09 0.00 0.00 178.44 179.96 2iuu n ARG 711 N -4.52 0.15 0.00 1.13 1.74 -0.57 -4.82 116.66 109.77 2iuu n ARG 711 Ca -0.08 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2iuu n ARG 711 Cb 0.44 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2iuu n ARG 711 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iuu n GLY 712 N -0.69 2.97 3.94 -0.13 0.00 -1.03 -5.08 105.19 105.16 2iuu n GLY 712 Ca 0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2iuu n GLY 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 713 N -2.00 3.70 -0.14 4.61 0.00 -1.26 -4.37 121.76 122.30 2iuu s ALA 713 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2iuu s ALA 713 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 2iuu s ALA 713 CO 0.00 0.05 1.84 -1.25 0.00 0.00 0.00 175.76 176.40 2iuu s PRO 714 N -4.15 3.76 -1.14 0.00 0.04 -1.24 -4.47 135.00 127.80 2iuu s PRO 714 Ca 0.40 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.39 2iuu s PRO 714 Cb -0.10 -4.14 0.26 0.00 0.04 0.00 0.00 34.50 30.56 2iuu s PRO 714 CO 0.35 -1.35 1.41 -3.47 0.04 0.00 0.00 177.00 173.97 2iuu n ASP 715 N 8.84 5.75 -4.79 6.66 4.64 -1.26 -5.03 116.55 131.36 2iuu n ASP 715 Ca 0.21 -3.18 -0.31 0.00 -1.38 0.00 0.00 54.79 50.13 2iuu n ASP 715 Cb 0.44 -1.38 0.06 0.00 -1.04 0.00 0.00 41.12 39.20 2iuu n ASP 715 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2iuu s TYR 716 N -1.19 2.84 -0.59 -0.67 4.12 -1.26 -4.73 117.35 115.86 2iuu s TYR 716 Ca 0.34 1.50 0.06 0.00 0.02 0.00 0.00 57.07 58.99 2iuu s TYR 716 Cb -0.01 -2.99 0.23 0.00 -1.52 0.00 0.00 41.96 37.67 2iuu s TYR 716 CO 0.01 -1.49 0.62 -0.89 0.02 0.00 0.00 175.55 173.82 2iuu n ILE 717 N -3.10 1.37 -0.17 2.71 -0.00 -0.38 -4.96 119.36 114.84 2iuu n ILE 717 Ca 0.09 -4.78 0.23 0.00 -0.00 0.00 0.00 62.75 58.28 2iuu n ILE 717 Cb 0.53 -2.06 0.35 0.00 -0.00 0.00 0.00 39.64 38.46 2iuu n ILE 717 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2iuu n GLU 718 N 1.35 0.01 -0.25 0.38 2.13 -1.26 0.24 120.64 123.24 2iuu n GLU 718 Ca 0.26 0.85 0.03 0.00 0.66 0.00 0.00 57.16 58.96 2iuu n GLU 718 Cb 0.42 -2.13 0.16 0.00 0.27 0.00 0.00 31.44 30.16 2iuu n GLU 718 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2iuu h ASP 719 N 0.00 0.40 -0.61 4.31 -0.00 -1.95 -3.16 116.42 115.42 2iuu h ASP 719 Ca 0.40 0.08 0.08 0.00 -0.00 0.00 0.00 57.03 57.59 2iuu h ASP 719 Cb 2.44 0.02 -0.06 0.00 -0.00 0.00 0.00 39.33 41.72 2iuu h ASP 719 CO -0.00 0.21 0.27 -0.29 -0.00 0.00 0.00 179.24 179.42 2iuu h ILE 720 N 0.55 0.84 0.00 2.25 2.10 -0.58 -2.68 117.51 119.99 2iuu h ILE 720 Ca 0.38 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.15 2iuu h ILE 720 Cb 0.47 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 2iuu h ILE 720 CO -0.32 0.09 0.00 0.18 -1.08 0.00 0.00 178.15 177.02 2iuu n LEU 721 N -4.93 0.00 -0.06 2.19 4.77 -1.19 -3.78 117.00 114.00 2iuu n LEU 721 Ca 0.08 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.39 2iuu n LEU 721 Cb 0.24 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2iuu n LEU 721 CO 0.25 -0.00 0.27 0.00 -1.33 0.00 0.00 177.39 176.58